entry_id stringlengths 10 10 | comp_id stringlengths 0 11 | smiles stringlengths 2 350 ⌀ | inchi stringlengths 0 413 | name stringlengths 3 127 | formula stringlengths 5 21 | source_chem_comp_json stringlengths 1.76k 2.38k | source_smiles_json stringlengths 2 893 | source_entry_json stringlengths 2.25k 2.44k |
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bmse000001 | 1 | C(CN)CN | InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2 | 1,3-Diaminopropane | C3 H10 N2 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000001", "Sf_ID": "7", "ID": "1", "Provenance": "PubChem", "Name": "1,3-Diaminopropane", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by"... | [{"Type": "isomeric", "String": "C(CN)CN", "Sf_ID": "7", "Entry_ID": "bmse000001", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(CN)CN", "Sf_ID": "7", "Entry_ID": "bmse000001", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1", "ID": "bmse000001", "Title": "1_3_diaminopropane", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Ori... |
bmse000002 | 1 | C([C@H](C(=O)O)OP(=O)(O)O)OP(=O)(O)O | InChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1 | 2,3-Diphospho-D-glyceric acid | C3 H8 O10 P2 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000002", "Sf_ID": "30", "ID": "1", "Provenance": "PubChem", "Name": "2,3-Diphospho-D-glyceric acid", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "... | [{"Type": "isomeric", "String": "C([C@H](C(=O)O)OP(=O)(O)O)OP(=O)(O)O", "Sf_ID": "30", "Entry_ID": "bmse000002", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(C(C(=O)O)OP(=O)(O)O)OP(=O)(O)O", "Sf_ID": "30", "Entry_ID": "bmse000002", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "24", "ID": "bmse000002", "Title": "2_3_diphospho_D_glyceric_acid", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-03-26", "Original_release_date": "2006-... |
bmse000003 | 1 | C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)CO)O | InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1 | 2'-Deoxyguanosine | C10 H13 N5 O4 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000003", "Sf_ID": "55", "ID": "1", "Provenance": "PubChem", "Name": "2'-Deoxyguanosine", "Type": "non-polymer", "BMRB_code": "bmse000003", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Re... | [{"Type": "canonical", "String": "C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)CO)O", "Sf_ID": "55", "Entry_ID": "bmse000003", "Comp_ID": "1"}, {"Type": "isotoopic", "String": "C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)CO)O", "Sf_ID": "55", "Entry_ID": "bmse000003", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "49", "ID": "bmse000003", "Title": "2_deoxyguanosine", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Orig... |
bmse000004 | 1 | C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O | InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | ADP | C10 H15 N5 O10 P2 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000004", "Sf_ID": "76", "ID": "1", "Provenance": "PubChem", "Name": "ADP", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "", "Replace... | [{"Type": "isomeric", "String": "C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O", "Sf_ID": "76", "Entry_ID": "bmse000004", "Comp_ID": "1"}, {"Type": "canonical", "String": "C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O", "Sf_ID": "76", "Entry_ID": "bmse000004", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "70", "ID": "bmse000004", "Title": "ADP", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-02-27", "Original_release_date": "2006-02-23", "Origination": "au... |
bmse000005 | 1 | C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O | InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | AMP | C10 H14 N5 O7 P | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000005", "Sf_ID": "104", "ID": "1", "Provenance": "PubChem", "Name": "AMP", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "", "Replac... | [{"Type": "isomeric", "String": "C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O", "Sf_ID": "104", "Entry_ID": "bmse000005", "Comp_ID": "1"}, {"Type": "canonical", "String": "C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O", "Sf_ID": "104", "Entry_ID": "bmse000005", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "98", "ID": "bmse000005", "Title": "AMP", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-02-27", "Original_release_date": "2006-02-23", "Origination": "au... |
bmse000006 | 1 | C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O | InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | ATP | C10 H16 N5 O13 P3 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000006", "Sf_ID": "129", "ID": "1", "Provenance": "PubChem", "Name": "ATP", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "", "Replac... | [{"Type": "isomeric", "String": "C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O", "Sf_ID": "129", "Entry_ID": "bmse000006", "Comp_ID": "1"}, {"Type": "canonical", "String": "C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O", "Sf_ID": "129", "Entry_ID": "bmse000006... | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "123", "ID": "bmse000006", "Title": "ATP", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-02-27", "Original_release_date": "2006-02-23", "Origination": "a... |
bmse000007 | 1 | C([C@H](C(=O)O)O)OP(=O)(O)O | InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1 | D-(-)-3-Phosphoglyceric acid | C3 H7 O7 P | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000007", "Sf_ID": "155", "ID": "1", "Provenance": "PubChem", "Name": "D-(-)-3-Phosphoglyceric acid", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "... | [{"Type": "isomeric", "String": "C([C@H](C(=O)O)O)OP(=O)(O)O", "Sf_ID": "155", "Entry_ID": "bmse000007", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(C(C(=O)O)O)OP(=O)(O)O", "Sf_ID": "155", "Entry_ID": "bmse000007", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "149", "ID": "bmse000007", "Title": "D_3_phosphoglyceric_acid", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-2... |
bmse000008 | 1 | C([C@@H]1[C@H]([C@H]([C@H](C(O1)O)O)O)O)O | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6-/m1/s1 | D-Allose | C6 H12 O6 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000008", "Sf_ID": "177", "ID": "1", "Provenance": "PubChem", "Name": "D-Allose", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "", "R... | [{"Type": "isomeric", "String": "C([C@@H]1[C@H]([C@H]([C@H](C(O1)O)O)O)O)O", "Sf_ID": "177", "Entry_ID": "bmse000008", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(C1C(C(C(C(O1)O)O)O)O)O", "Sf_ID": "177", "Entry_ID": "bmse000008", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "171", "ID": "bmse000008", "Title": "D_allose", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Origination... |
bmse000010 | 1 | C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O | InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6+/m1/s1 | D-(-)-Fructose | C6 H12 O6 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000010", "Sf_ID": "199", "ID": "1", "Provenance": "PubChem", "Name": "D-(-)-Fructose", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": ... | [{"Type": "isomeric", "String": "C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O", "Sf_ID": "199", "Entry_ID": "bmse000010", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(C1C(C(C(O1)(CO)O)O)O)O", "Sf_ID": "199", "Entry_ID": "bmse000010", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "193", "ID": "bmse000010", "Title": "D_fructose", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-03-26", "Original_release_date": "2006-02-23", "Originati... |
bmse000011 | 1 | C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O | InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6-/m1/s1 | D-Fructose-1,6-bisphosphate | C6 H14 O12 P2 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000011", "Sf_ID": "223", "ID": "1", "Provenance": "PubChem", "Name": "D-Fructose-1,6-bisphosphate", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "R... | [{"Type": "isomeric", "String": "C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O", "Sf_ID": "223", "Entry_ID": "bmse000011", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O", "Sf_ID": "223", "Entry_ID": "bmse000011", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "217", "ID": "bmse000011", "Title": "D_fructose_1_6_bisphosphate", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-0... |
bmse000012 | 1 | C([C@@H]1[C@H]([C@@H](C(O1)(CO)O)O)O)OP(=O)(O)O | InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1 | D-Fructose-6-phosphate | C6 H13 O9 P | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000012", "Sf_ID": "244", "ID": "1", "Provenance": "PubChem", "Name": "D-Fructose-6-phosphate", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replac... | [{"Type": "isomeric", "String": "C([C@@H]1[C@H]([C@@H](C(O1)(CO)O)O)O)OP(=O)(O)O", "Sf_ID": "244", "Entry_ID": "bmse000012", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(C1C(C(C(O1)(CO)O)O)O)OP(=O)(O)O", "Sf_ID": "244", "Entry_ID": "bmse000012", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "238", "ID": "bmse000012", "Title": "D_fructose_6_phosphate", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-03-26", "Original_release_date": "2006-02-23"... |
bmse000013 | 1 | C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m1/s1 | D-(+)-Galactose | C6 H12 O6 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000013", "Sf_ID": "271", "ID": "1", "Provenance": "PubChem", "Name": "D-(+)-Galactose", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by":... | [{"Type": "isomeric", "String": "C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O", "Sf_ID": "271", "Entry_ID": "bmse000013", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(C1C(C(C(C(O1)O)O)O)O)O", "Sf_ID": "271", "Entry_ID": "bmse000013", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "265", "ID": "bmse000013", "Title": "D_galactose", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-03-26", "Original_release_date": "2006-02-23", "Originat... |
bmse000015 | 1 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 | D-(+)-Glucose | C6 H12 O6 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000015", "Sf_ID": "294", "ID": "1", "Provenance": "PubChem", "Name": "D-(+)-Glucose", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "... | [{"Type": "isomeric", "String": "C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O", "Sf_ID": "294", "Entry_ID": "bmse000015", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(C1C(C(C(C(O1)O)O)O)O)O", "Sf_ID": "294", "Entry_ID": "bmse000015", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "288", "ID": "bmse000015", "Title": "D_glucose", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-03-26", "Original_release_date": "2006-02-23", "Originatio... |
bmse000016 | 1 | C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O | InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1 | D-Glucose 6-phosphate | C6 H13 O9 P | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000016", "Sf_ID": "319", "ID": "1", "Provenance": "PubChem", "Name": "D-Glucose 6-phosphate", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replace... | [{"Type": "isomeric", "String": "C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O", "Sf_ID": "319", "Entry_ID": "bmse000016", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O", "Sf_ID": "319", "Entry_ID": "bmse000016", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "313", "ID": "bmse000016", "Title": "D_glucose_6_phosphate", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23",... |
bmse000017 | 1 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O | InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1 | D-(+)-Maltose | C12 H22 O11 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000017", "Sf_ID": "341", "ID": "1", "Provenance": "PubChem", "Name": "D-(+)-Maltose", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "... | [{"Type": "isomeric", "String": "C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O", "Sf_ID": "341", "Entry_ID": "bmse000017", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O", "Sf_ID": "341", "Entry_ID": "bmse000017", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "335", "ID": "bmse000017", "Title": "D_maltose", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-03-26", "Original_release_date": "2006-02-23", "Originatio... |
bmse000018 | 1 | C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1 | D-(+)-Mannose | C6 H12 O6 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000018", "Sf_ID": "365", "ID": "1", "Provenance": "PubChem", "Name": "D-(+)-Mannose", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "... | [{"Type": "isomeric", "String": "C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O", "Sf_ID": "365", "Entry_ID": "bmse000018", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(C1C(C(C(C(O1)O)O)O)O)O", "Sf_ID": "365", "Entry_ID": "bmse000018", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "359", "ID": "bmse000018", "Title": "D_mannose", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Originatio... |
bmse000019 | 1 | C(C[C@H](C(=O)O)N)CN | InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m1/s1 | D-Ornithine | C5 H12 N2 O2 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000019", "Sf_ID": "388", "ID": "1", "Provenance": "PubChem", "Name": "D-Ornithine", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "",... | [{"Type": "isomeric", "String": "C(C[C@H](C(=O)O)N)CN", "Sf_ID": "388", "Entry_ID": "bmse000019", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(CC(C(=O)O)N)CN", "Sf_ID": "388", "Entry_ID": "bmse000019", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "382", "ID": "bmse000019", "Title": "D_ornithine", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Originat... |
bmse000020 | 1 | C1[C@H]([C@H]([C@H](C(O1)(CO)O)O)O)O | InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5-,6+/m1/s1 | D-Psicose | C6 H12 O6 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000020", "Sf_ID": "412", "ID": "1", "Provenance": "PubChem", "Name": "D-Psicose", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "", "... | [{"Type": "isomeric", "String": "C1[C@H]([C@H]([C@H](C(O1)(CO)O)O)O)O", "Sf_ID": "412", "Entry_ID": "bmse000020", "Comp_ID": "1"}, {"Type": "canonical", "String": "C1C(C(C(C(O1)(CO)O)O)O)O", "Sf_ID": "412", "Entry_ID": "bmse000020", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "406", "ID": "bmse000020", "Title": "D_psicose", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-03-26", "Original_release_date": "2006-02-23", "Originatio... |
bmse000022 | 1 | C1[C@H]([C@@H]([C@H](C(O1)(CO)O)O)O)O | InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5-,6+/m1/s1 | D-(+)-Sorbose | C6 H12 O6 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000022", "Sf_ID": "434", "ID": "1", "Provenance": "PubChem", "Name": "D-(+)-Sorbose", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "... | [{"Type": "isomeric", "String": "C1[C@H]([C@@H]([C@H](C(O1)(CO)O)O)O)O", "Sf_ID": "434", "Entry_ID": "bmse000022", "Comp_ID": "1"}, {"Type": "canonical", "String": "C1C(C(C(C(O1)(CO)O)O)O)O", "Sf_ID": "434", "Entry_ID": "bmse000022", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "428", "ID": "bmse000022", "Title": "D_sorbose", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-03-26", "Original_release_date": "2006-02-23", "Originatio... |
bmse000023 | 1 | C1[C@H]([C@@H]([C@@H](C(O1)(CO)O)O)O)O | InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5+,6-/m1/s1 | D-(-)-Tagatose | C6 H12 O6 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000023", "Sf_ID": "457", "ID": "1", "Provenance": "PubChem", "Name": "D-(-)-Tagatose", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": ... | [{"Type": "isomeric", "String": "C1[C@H]([C@@H]([C@@H](C(O1)(CO)O)O)O)O", "Sf_ID": "457", "Entry_ID": "bmse000023", "Comp_ID": "1"}, {"Type": "canonical", "String": "C1C(C(C(C(O1)(CO)O)O)O)O", "Sf_ID": "457", "Entry_ID": "bmse000023", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "451", "ID": "bmse000023", "Title": "D_tagatose", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-03-26", "Original_release_date": "2006-02-23", "Originati... |
bmse000025 | 1 | C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O | InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/t2-,4-/m1/s1 | D-(+)-Threo-isocitric acid | C6 H8 O7 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000025", "Sf_ID": "481", "ID": "1", "Provenance": "PubChem", "Name": "D-(+)-Threo-isocitric acid", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Re... | [{"Type": "isomeric", "String": "C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O", "Sf_ID": "481", "Entry_ID": "bmse000025", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(C(C(C(=O)O)O)C(=O)O)C(=O)O", "Sf_ID": "481", "Entry_ID": "bmse000025", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "475", "ID": "bmse000025", "Title": "D_threo_isocitric_acid", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23"... |
bmse000026 | 1 | C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O | InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1 | D-(+)-Xylose | C5 H10 O5 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000026", "Sf_ID": "503", "ID": "1", "Provenance": "PubChem", "Name": "D-(+)-Xylose", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": ""... | [{"Type": "isomeric", "String": "C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O", "Sf_ID": "503", "Entry_ID": "bmse000026", "Comp_ID": "1"}, {"Type": "canonical", "String": "C1C(C(C(C(O1)O)O)O)O", "Sf_ID": "503", "Entry_ID": "bmse000026", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "497", "ID": "bmse000026", "Title": "D_xylose", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-03-26", "Original_release_date": "2006-02-23", "Origination... |
bmse000027 | 1 | C1[C@H]([C@@H](C(O1)(CO)O)O)O | InChI=1S/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4+,5+/m1/s1 | D-Xylulose | C5 H10 O5 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000027", "Sf_ID": "527", "ID": "1", "Provenance": "PubChem", "Name": "D-Xylulose", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "", ... | [{"Type": "isomeric", "String": "C1[C@H]([C@@H](C(O1)(CO)O)O)O", "Sf_ID": "527", "Entry_ID": "bmse000027", "Comp_ID": "1"}, {"Type": "canonical", "String": "C1C(C(C(O1)(CO)O)O)O", "Sf_ID": "527", "Entry_ID": "bmse000027", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "521", "ID": "bmse000027", "Title": "D_xylulose", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Originati... |
bmse000028 | 1 | C[C@@H](C(=O)O)N | InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 | L-Alanine | C3 H7 N O2 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000028", "Sf_ID": "548", "ID": "1", "Provenance": "PubChem", "Name": "L-Alanine", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "", "... | [{"Type": "isomeric", "String": "C[C@@H](C(=O)O)N", "Sf_ID": "548", "Entry_ID": "bmse000028", "Comp_ID": "1"}, {"Type": "canonical", "String": "CC(C(=O)O)N", "Sf_ID": "548", "Entry_ID": "bmse000028", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "542", "ID": "bmse000028", "Title": "L_alanine", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Originatio... |
bmse000029 | 1 | C(C[C@@H](C(=O)O)N)CN=C(N)N | InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1 | L-Arginine | C6 H14 N4 O2 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000029", "Sf_ID": "571", "ID": "1", "Provenance": "PubChem", "Name": "L-Arginine", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "", ... | [{"Type": "isomeric", "String": "C(C[C@@H](C(=O)O)N)CN=C(N)N", "Sf_ID": "571", "Entry_ID": "bmse000029", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(CC(C(=O)O)N)CN=C(N)N", "Sf_ID": "571", "Entry_ID": "bmse000029", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "565", "ID": "bmse000029", "Title": "L_arginine", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-03-26", "Original_release_date": "2006-02-23", "Originati... |
bmse000030 | 1 | C([C@@H](C(=O)O)N)C(=O)N | InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1 | L-Asparagine | C4 H8 N2 O3 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000030", "Sf_ID": "596", "ID": "1", "Provenance": "PubChem", "Name": "L-Asparagine", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": ""... | [{"Type": "isomeric", "String": "C([C@@H](C(=O)O)N)C(=O)N", "Sf_ID": "596", "Entry_ID": "bmse000030", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(C(C(=O)O)N)C(=O)N", "Sf_ID": "596", "Entry_ID": "bmse000030", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "590", "ID": "bmse000030", "Title": "L_asparagine", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-03-26", "Original_release_date": "2006-02-23", "Origina... |
bmse000031 | 1 | C([C@@H](C(=O)O)N)C(=O)O | InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1 | L-Aspartic acid | C4 H7 N O4 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000031", "Sf_ID": "621", "ID": "1", "Provenance": "PubChem", "Name": "L-Aspartic acid", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by":... | [{"Type": "isomeric", "String": "C([C@@H](C(=O)O)N)C(=O)O", "Sf_ID": "621", "Entry_ID": "bmse000031", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(C(C(=O)O)N)C(=O)O", "Sf_ID": "621", "Entry_ID": "bmse000031", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "615", "ID": "bmse000031", "Title": "L_aspartic_acid", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Orig... |
bmse000032 | 1 | C(C[C@@H](C(=O)O)N)CNC(=O)N | InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1 | L-Citrulline | C6 H13 N3 O3 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000032", "Sf_ID": "644", "ID": "1", "Provenance": "PubChem", "Name": "L-Citrulline", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": ""... | [{"Type": "isomeric", "String": "C(C[C@@H](C(=O)O)N)CNC(=O)N", "Sf_ID": "644", "Entry_ID": "bmse000032", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(CC(C(=O)O)N)CNC(=O)N", "Sf_ID": "644", "Entry_ID": "bmse000032", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "638", "ID": "bmse000032", "Title": "L_citrulline", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-03-26", "Original_release_date": "2006-02-23", "Origina... |
bmse000033 | 1 | C(CSC[C@H](C(=O)O)N)[C@@H](C(=O)O)N | InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5+/m0/s1 | L-Cystathionine | C7 H14 N2 O4 S | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000033", "Sf_ID": "669", "ID": "1", "Provenance": "PubChem", "Name": "L-Cystathionine", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by":... | [{"Type": "isomeric", "String": "C(CSC[C@H](C(=O)O)N)[C@@H](C(=O)O)N", "Sf_ID": "669", "Entry_ID": "bmse000033", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(CSCC(C(=O)O)N)C(C(=O)O)N", "Sf_ID": "669", "Entry_ID": "bmse000033", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "663", "ID": "bmse000033", "Title": "L_cystathionine", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Orig... |
bmse000034 | 1 | C([C@@H](C(=O)O)N)S | InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 | L-Cysteine | C3 H7 N O2 S | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000034", "Sf_ID": "691", "ID": "1", "Provenance": "PubChem", "Name": "L-Cysteine", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "", ... | [{"Type": "isomeric", "String": "C([C@@H](C(=O)O)N)S", "Sf_ID": "691", "Entry_ID": "bmse000034", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(C(C(=O)O)N)S", "Sf_ID": "691", "Entry_ID": "bmse000034", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "685", "ID": "bmse000034", "Title": "L_cysteine", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-03-26", "Original_release_date": "2006-02-23", "Originati... |
bmse000035 | 1 | C([C@@H](C(=O)O)N)SSC[C@@H](C(=O)O)N | InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1 | L-Cystine | C6 H12 N2 O4 S2 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000035", "Sf_ID": "715", "ID": "1", "Provenance": "PubChem", "Name": "L-Cystine", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "", "... | [{"Type": "isomeric", "String": "C([C@@H](C(=O)O)N)SSC[C@@H](C(=O)O)N", "Sf_ID": "715", "Entry_ID": "bmse000035", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(C(C(=O)O)N)SSCC(C(=O)O)N", "Sf_ID": "715", "Entry_ID": "bmse000035", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "709", "ID": "bmse000035", "Title": "L_cystine", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-11-07", "Original_release_date": "2006-02-23", "Originatio... |
bmse000036 | 1 | C[C@H]1[C@H]([C@H]([C@@H](C(O1)O)O)O)O | InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6-/m0/s1 | L-(-)-Fucose | C6 H12 O5 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000036", "Sf_ID": "742", "ID": "1", "Provenance": "PubChem", "Name": "L-(-)-Fucose", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": ""... | [{"Type": "isomeric", "String": "C[C@H]1[C@H]([C@H]([C@@H](C(O1)O)O)O)O", "Sf_ID": "742", "Entry_ID": "bmse000036", "Comp_ID": "1"}, {"Type": "canonical", "String": "CC1C(C(C(C(O1)O)O)O)O", "Sf_ID": "742", "Entry_ID": "bmse000036", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "736", "ID": "bmse000036", "Title": "L_fucose", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Origination... |
bmse000037 | 1 | C(CC(=O)O)C(C(=O)O)N | InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 | L-Glutamic acid | C5 H9 N O4 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000037", "Sf_ID": "764", "ID": "1", "Provenance": "PubChem", "Name": "L-Glutamic acid", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by":... | [{"Type": "isomeric", "String": "C(CC(=O)O)C(C(=O)O)N", "Sf_ID": "764", "Entry_ID": "bmse000037", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(CC(=O)O)C(C(=O)O)N", "Sf_ID": "764", "Entry_ID": "bmse000037", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "758", "ID": "bmse000037", "Title": "L_glutamic_acid", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Orig... |
bmse000038 | 1 | C(CC(=O)N)[C@@H](C(=O)O)N | InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 | L-Glutamine | C5 H10 N2 O3 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000038", "Sf_ID": "789", "ID": "1", "Provenance": "PubChem", "Name": "L-Glutamine", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "",... | [{"Type": "isomeric", "String": "C(CC(=O)N)[C@@H](C(=O)O)N", "Sf_ID": "789", "Entry_ID": "bmse000038", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(CC(=O)N)C(C(=O)O)N", "Sf_ID": "789", "Entry_ID": "bmse000038", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "783", "ID": "bmse000038", "Title": "L_glutamine", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Originat... |
bmse000039 | 1 | C1=C(NC=N1)C[C@@H](C(=O)O)N | InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1 | L-Histidine | C6 H9 N3 O2 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000039", "Sf_ID": "812", "ID": "1", "Provenance": "PubChem", "Name": "L-Histidine", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "",... | [{"Type": "isomeric", "String": "C1=C(NC=N1)C[C@@H](C(=O)O)N", "Sf_ID": "812", "Entry_ID": "bmse000039", "Comp_ID": "1"}, {"Type": "canonical", "String": "C1=C(NC=N1)CC(C(=O)O)N", "Sf_ID": "812", "Entry_ID": "bmse000039", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "806", "ID": "bmse000039", "Title": "L_histidine", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-03-26", "Original_release_date": "2006-02-23", "Originat... |
bmse000040 | 1 | C(CO)[C@@H](C(=O)O)N | InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1 | L-Homoserine | C4 H9 N O3 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000040", "Sf_ID": "833", "ID": "1", "Provenance": "PubChem", "Name": "L-Homoserine", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": ""... | [{"Type": "isomeric", "String": "C(CO)[C@@H](C(=O)O)N", "Sf_ID": "833", "Entry_ID": "bmse000040", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(CO)C(C(=O)O)N", "Sf_ID": "833", "Entry_ID": "bmse000040", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "827", "ID": "bmse000040", "Title": "L_homoserine", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Origina... |
bmse000041 | 1 | CC[C@H](C)[C@@H](C(=O)O)N | InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1 | L-Isoleucine | C6 H13 N O2 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000041", "Sf_ID": "855", "ID": "1", "Provenance": "PubChem", "Name": "L-Isoleucine", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": ""... | [{"Type": "isomeric", "String": "CC[C@H](C)[C@@H](C(=O)O)N", "Sf_ID": "855", "Entry_ID": "bmse000041", "Comp_ID": "1"}, {"Type": "canonical", "String": "CCC(C)C(C(=O)O)N", "Sf_ID": "855", "Entry_ID": "bmse000041", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "849", "ID": "bmse000041", "Title": "L_isoleucine", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Origina... |
bmse000042 | 1 | CC(C)C[C@@H](C(=O)O)N | InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1 | L-Leucine | C6 H13 N O2 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000042", "Sf_ID": "878", "ID": "1", "Provenance": "PubChem", "Name": "L-Leucine", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "", "... | [{"Type": "isomeric", "String": "CC(C)C[C@@H](C(=O)O)N", "Sf_ID": "878", "Entry_ID": "bmse000042", "Comp_ID": "1"}, {"Type": "canonical", "String": "CC(C)CC(C(=O)O)N", "Sf_ID": "878", "Entry_ID": "bmse000042", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "872", "ID": "bmse000042", "Title": "L_leucine", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-03-26", "Original_release_date": "2006-02-23", "Originatio... |
bmse000043 | 1 | C(CCN)C[C@@H](C(=O)O)N | InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1 | L-Lysine | C6 H14 N2 O2 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000043", "Sf_ID": "902", "ID": "1", "Provenance": "PubChem", "Name": "L-Lysine", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "", "R... | [{"Type": "isomeric", "String": "C(CCN)C[C@@H](C(=O)O)N", "Sf_ID": "902", "Entry_ID": "bmse000043", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(CCN)CC(C(=O)O)N", "Sf_ID": "902", "Entry_ID": "bmse000043", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "896", "ID": "bmse000043", "Title": "L_lysine", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-03-26", "Original_release_date": "2006-02-23", "Origination... |
bmse000044 | 1 | CSCC[C@@H](C(=O)O)N | InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1 | L-Methionine | C5 H11 N O2 S | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000044", "Sf_ID": "926", "ID": "1", "Provenance": "PubChem", "Name": "L-Methionine", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": ""... | [{"Type": "isomeric", "String": "CSCC[C@@H](C(=O)O)N", "Sf_ID": "926", "Entry_ID": "bmse000044", "Comp_ID": "1"}, {"Type": "canonical", "String": "CSCCC(C(=O)O)N", "Sf_ID": "926", "Entry_ID": "bmse000044", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "920", "ID": "bmse000044", "Title": "L_methionine", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-03-26", "Original_release_date": "2006-02-23", "Origina... |
bmse000045 | 1 | C1=CC=C(C=C1)C[C@@H](C(=O)O)N | InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 | L-Phenylalanine | C9 H11 N O2 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000045", "Sf_ID": "951", "ID": "1", "Provenance": "PubChem", "Name": "L-Phenylalanine", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by":... | [{"Type": "isomeric", "String": "C1=CC=C(C=C1)C[C@@H](C(=O)O)N", "Sf_ID": "951", "Entry_ID": "bmse000045", "Comp_ID": "1"}, {"Type": "canonical", "String": "C1=CC=C(C=C1)CC(C(=O)O)N", "Sf_ID": "951", "Entry_ID": "bmse000045", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "945", "ID": "bmse000045", "Title": "L_phenylalanine", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-03-26", "Original_release_date": "2006-02-23", "Orig... |
bmse000046 | 1 | C(C(C(=O)O)O)C(=O)O | InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1 | Malic acid | C4 H6 O5 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000046", "Sf_ID": "976", "ID": "1", "Provenance": "PubChem", "Name": "Malic acid", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "", ... | [{"Type": "isomeric", "String": "C(C(C(=O)O)O)C(=O)O", "Sf_ID": "976", "Entry_ID": "bmse000046", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(C(C(=O)O)O)C(=O)O", "Sf_ID": "976", "Entry_ID": "bmse000046", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "970", "ID": "bmse000046", "Title": "malic_acid", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-03-26", "Original_release_date": "2006-02-23", "Originati... |
bmse000047 | 1 | C1C[C@@H](NC1)C(=O)O | InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1 | L-Proline | C5 H9 N O2 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000047", "Sf_ID": "1000", "ID": "1", "Provenance": "PubChem", "Name": "L-Proline", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "", ... | [{"Type": "isomeric", "String": "C1C[C@@H](NC1)C(=O)O", "Sf_ID": "1000", "Entry_ID": "bmse000047", "Comp_ID": "1"}, {"Type": "canonical", "String": "C1CC(NC1)C(=O)O", "Sf_ID": "1000", "Entry_ID": "bmse000047", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "994", "ID": "bmse000047", "Title": "L_proline", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-03-26", "Original_release_date": "2006-02-23", "Originatio... |
bmse000048 | 1 | C([C@@H](C(=O)O)N)O | InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1 | L-Serine | C3 H7 N O3 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000048", "Sf_ID": "1024", "ID": "1", "Provenance": "PubChem", "Name": "L-Serine", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "", "... | [{"Type": "isomeric", "String": "C([C@@H](C(=O)O)N)O", "Sf_ID": "1024", "Entry_ID": "bmse000048", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(C(C(=O)O)N)O", "Sf_ID": "1024", "Entry_ID": "bmse000048", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1018", "ID": "bmse000048", "Title": "L_serine", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Originatio... |
bmse000049 | 1 | C[C@H]([C@@H](C(=O)O)N)O | InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1 | L-Threonine | C4 H9 N O3 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000049", "Sf_ID": "1045", "ID": "1", "Provenance": "PubChem", "Name": "L-Threonine", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": ""... | [{"Type": "isomeric", "String": "C[C@H]([C@@H](C(=O)O)N)O", "Sf_ID": "1045", "Entry_ID": "bmse000049", "Comp_ID": "1"}, {"Type": "canonical", "String": "CC(C(C(=O)O)N)O", "Sf_ID": "1045", "Entry_ID": "bmse000049", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1039", "ID": "bmse000049", "Title": "L_threonine", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Origina... |
bmse000050 | 1 | C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N | InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1 | L-Tryptophan | C11 H12 N2 O2 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000050", "Sf_ID": "1066", "ID": "1", "Provenance": "PubChem", "Name": "L-Tryptophan", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "... | [{"Type": "isomeric", "String": "C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N", "Sf_ID": "1066", "Entry_ID": "bmse000050", "Comp_ID": "1"}, {"Type": "canonical", "String": "C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N", "Sf_ID": "1066", "Entry_ID": "bmse000050", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1060", "ID": "bmse000050", "Title": "L_tryptophan", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Origin... |
bmse000051 | 1 | C1=CC(=CC=C1C[C@@H](C(=O)O)N)O | InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 | L-Tyrosine | C9 H11 N O3 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000051", "Sf_ID": "1086", "ID": "1", "Provenance": "PubChem", "Name": "L-Tyrosine", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "",... | [{"Type": "isomeric", "String": "C1=CC(=CC=C1C[C@@H](C(=O)O)N)O", "Sf_ID": "1086", "Entry_ID": "bmse000051", "Comp_ID": "1"}, {"Type": "canonical", "String": "C1=CC(=CC=C1CC(C(=O)O)N)O", "Sf_ID": "1086", "Entry_ID": "bmse000051", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1080", "ID": "bmse000051", "Title": "L_tyrosine", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-03-26", "Original_release_date": "2006-02-23", "Originat... |
bmse000052 | 1 | CC(C)[C@@H](C(=O)O)N | InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1 | L-Valine | C5 H11 N O2 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000052", "Sf_ID": "1114", "ID": "1", "Provenance": "PubChem", "Name": "L-Valine", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "", "... | [{"Type": "isomeric", "String": "CC(C)[C@@H](C(=O)O)N", "Sf_ID": "1114", "Entry_ID": "bmse000052", "Comp_ID": "1"}, {"Type": "canonical", "String": "CC(C)C(C(=O)O)N", "Sf_ID": "1114", "Entry_ID": "bmse000052", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1108", "ID": "bmse000052", "Title": "L_valine", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Originatio... |
bmse000053 | 1 | C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN=C5N)O)O)O)O)C(=O)N | InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 | NAD | C21 H28 N7 O14 P2 + | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000053", "Sf_ID": "1135", "ID": "1", "Provenance": "PubChem", "Name": "NAD", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "", "Repla... | [{"Type": "isomeric", "String": "C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN=C5N)O)O)O)O)C(=O)N", "Sf_ID": "1135", "Entry_ID": "bmse000053", "Comp_ID": "1"}, {"Type": "canonical", "String": "C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C... | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1129", "ID": "bmse000053", "Title": "NAD", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-03-26", "Original_release_date": "2006-02-23", "Origination": "... |
bmse000054 | 1 | C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN=C5N)O)O)O)O | InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 | NADH | C21 H29 N7 O14 P2 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000054", "Sf_ID": "1161", "ID": "1", "Provenance": "PubChem", "Name": "NADH", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "", "Repl... | [{"Type": "isomeric", "String": "C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN=C5N)O)O)O)O", "Sf_ID": "1161", "Entry_ID": "bmse000054", "Comp_ID": "1"}, {"Type": "canonical", "String": "C1C=CN(C=C1C(=O)N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5... | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1155", "ID": "bmse000054", "Title": "NADH", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-03-26", "Original_release_date": "2006-02-23", "Origination": ... |
bmse000055 | 1 | C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN=C5N)OP(=O)(O)O)O)O)O | InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 | NADPH | C21 H30 N7 O17 P3 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000055", "Sf_ID": "1189", "ID": "1", "Provenance": "PubChem", "Name": "NADPH", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "", "Rep... | [{"Type": "isomeric", "String": "C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN=C5N)OP(=O)(O)O)O)O)O", "Sf_ID": "1189", "Entry_ID": "bmse000055", "Comp_ID": "1"}, {"Type": "canonical", "String": "C1C=CN(C=C1C(=O)N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O... | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1183", "ID": "bmse000055", "Title": "NADPH", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-03-26", "Original_release_date": "2006-02-23", "Origination":... |
bmse000056 | 1 | CC(=O)N[C@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O | InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5+,6-,7-,8+/m1/s1 | N-Acetyl-D-mannosamine | C8 H15 N O6 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000056", "Sf_ID": "1216", "ID": "1", "Provenance": "PubChem", "Name": "N-Acetyl-D-mannosamine", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Repla... | [{"Type": "isomeric", "String": "CC(=O)N[C@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O", "Sf_ID": "1216", "Entry_ID": "bmse000056", "Comp_ID": "1"}, {"Type": "canonical", "String": "CC(=O)NC1C(C(C(OC1O)CO)O)O", "Sf_ID": "1216", "Entry_ID": "bmse000056", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1210", "ID": "bmse000056", "Title": "N_acetyl_D_mannosamine", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23... |
bmse000057 | 1 | CC(=O)N[C@@H]1[C@H](CC(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O | InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11-/m0/s1 | N-Acetylneuraminic acid | C11 H19 N O9 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000057", "Sf_ID": "1238", "ID": "1", "Provenance": "PubChem", "Name": "N-Acetylneuraminic acid", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Repl... | [{"Type": "isomeric", "String": "CC(=O)N[C@@H]1[C@H](CC(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O", "Sf_ID": "1238", "Entry_ID": "bmse000057", "Comp_ID": "1"}, {"Type": "canonical", "String": "CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O", "Sf_ID": "1238", "Entry_ID": "bmse000057", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1232", "ID": "bmse000057", "Title": "N_acetylneuraminic_acid", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-2... |
bmse000058 | 1 | C(COC(=O)CCC(=O)O)[C@@H](C(=O)O)N | InChI=1S/C8H13NO6/c9-5(8(13)14)3-4-15-7(12)2-1-6(10)11/h5H,1-4,9H2,(H,10,11)(H,13,14)/t5-/m0/s1 | O-Succinyl-L-homoserine | C8 H13 N O6 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000058", "Sf_ID": "1260", "ID": "1", "Provenance": "PubChem", "Name": "O-Succinyl-L-homoserine", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Repl... | [{"Type": "isomeric", "String": "C(COC(=O)CCC(=O)O)[C@@H](C(=O)O)N", "Sf_ID": "1260", "Entry_ID": "bmse000058", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(COC(=O)CCC(=O)O)C(C(=O)O)N", "Sf_ID": "1260", "Entry_ID": "bmse000058", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1254", "ID": "bmse000058", "Title": "O_succinyl_L_homoserine", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-2... |
bmse000059 | 1 | C[S+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O | InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7-,8+,10+,11+,14+,27+/m0/s1 | s-(5'-Adenosyl)-L-methionine | C15 H23 N6 O5 S + | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000059", "Sf_ID": "1282", "ID": "1", "Provenance": "PubChem", "Name": "s-(5'-Adenosyl)-L-methionine", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", ... | [{"Type": "isomeric", "String": "C[S+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O", "Sf_ID": "1282", "Entry_ID": "bmse000059", "Comp_ID": "1"}, {"Type": "canonical", "String": "C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O", "Sf_ID": "1282", "Entry_ID": "bmse000059", "Comp_ID":... | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1276", "ID": "bmse000059", "Title": "S_adenosyl_L_methionine", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-2... |
bmse000060 | 1 | C1=NC2=C(N1)C(=NC=N2)N | InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10) | Adenine | C5 H5 N5 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000060", "Sf_ID": "1303", "ID": "1", "Provenance": "PubChem", "Name": "Adenine", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "", "R... | [{"Type": "isomeric", "String": "C1=NC2=C(N1)C(=NC=N2)N", "Sf_ID": "1303", "Entry_ID": "bmse000060", "Comp_ID": "1"}, {"Type": "canonical", "String": "C1=NC2=C(N1)C(=NC=N2)N", "Sf_ID": "1303", "Entry_ID": "bmse000060", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1297", "ID": "bmse000060", "Title": "adenine", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Origination... |
bmse000061 | 1 | C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O | InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | Adenosine | C10 H13 N5 O4 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000061", "Sf_ID": "1330", "ID": "1", "Provenance": "PubChem", "Name": "Adenosine", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "", ... | [{"Type": "isomeric", "String": "C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O", "Sf_ID": "1330", "Entry_ID": "bmse000061", "Comp_ID": "1"}, {"Type": "canonical", "String": "C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O", "Sf_ID": "1330", "Entry_ID": "bmse000061", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1324", "ID": "bmse000061", "Title": "adenosine", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Originati... |
bmse000062 | 1 | C(C(C(C(CO)O)O)O)O | InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5+ | Adonitol | C5 H12 O5 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000062", "Sf_ID": "1356", "ID": "1", "Provenance": "PubChem", "Name": "Adonitol", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "", "... | [{"Type": "isomeric", "String": "C(C(C(C(CO)O)O)O)O", "Sf_ID": "1356", "Entry_ID": "bmse000062", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(C(C(C(CO)O)O)O)O", "Sf_ID": "1356", "Entry_ID": "bmse000062", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1350", "ID": "bmse000062", "Title": "adonitol", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-03-26", "Original_release_date": "2006-02-23", "Originatio... |
bmse000063 | 1 | C(CCN=C(N)N)CN | InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9) | Agmatine | C5 H14 N4 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000063", "Sf_ID": "1379", "ID": "1", "Provenance": "PubChem", "Name": "Agmatine", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "", "... | [{"Type": "isomeric", "String": "C(CCN=C(N)N)CN", "Sf_ID": "1379", "Entry_ID": "bmse000063", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(CCN=C(N)N)CN", "Sf_ID": "1379", "Entry_ID": "bmse000063", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1373", "ID": "bmse000063", "Title": "agmatine", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-03-26", "Original_release_date": "2006-02-23", "Originatio... |
bmse000064 | 1 | C(CC(=O)O)C(=O)C(=O)O | InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10) | alpha-Ketoglutaric acid | C5 H6 O5 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000064", "Sf_ID": "1403", "ID": "1", "Provenance": "PubChem", "Name": "alpha-Ketoglutaric acid", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Repl... | [{"Type": "isomeric", "String": "C(CC(=O)O)C(=O)C(=O)O", "Sf_ID": "1403", "Entry_ID": "bmse000064", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(CC(=O)O)C(=O)C(=O)O", "Sf_ID": "1403", "Entry_ID": "bmse000064", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1397", "ID": "bmse000064", "Title": "alpha_ketoglutaric_acid", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-2... |
bmse000065 | 1 | C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O | InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+/m1/s1 | Lactose | C12 H22 O11 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000065", "Sf_ID": "1428", "ID": "1", "Provenance": "PubChem", "Name": "Lactose", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "", "R... | [{"Type": "isomeric", "String": "C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O", "Sf_ID": "1428", "Entry_ID": "bmse000065", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O", "Sf_ID": "1428", "Entry_ID": "bmse000065", "Comp_ID": "... | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1422", "ID": "bmse000065", "Title": "lactose", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-03-26", "Original_release_date": "2006-02-23", "Origination... |
bmse000066 | 1 | C1=CC(=CC=C1C(=O)O)N | InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10) | 4-Aminobenzoic acid | C7 H7 N O2 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000066", "Sf_ID": "1452", "ID": "1", "Provenance": "PubChem", "Name": "4-Aminobenzoic acid", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced... | [{"Type": "isomeric", "String": "C1=CC(=CC=C1C(=O)O)N", "Sf_ID": "1452", "Entry_ID": "bmse000066", "Comp_ID": "1"}, {"Type": "canonical", "String": "C1=CC(=CC=C1C(=O)O)N", "Sf_ID": "1452", "Entry_ID": "bmse000066", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1446", "ID": "bmse000066", "Title": "4_aminobenzoic_acid", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-03-26", "Original_release_date": "2006-02-23", ... |
bmse000067 | 1 | C1=CC=C(C(=C1)C(=O)O)N | InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10) | Anthranilic acid | C7 H7 N O2 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000067", "Sf_ID": "1475", "ID": "1", "Provenance": "PubChem", "Name": "Anthranilic acid", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by... | [{"Type": "isomeric", "String": "C1=CC=C(C(=C1)C(=O)O)N", "Sf_ID": "1475", "Entry_ID": "bmse000067", "Comp_ID": "1"}, {"Type": "canonical", "String": "C1=CC=C(C(=C1)C(=O)O)N", "Sf_ID": "1475", "Entry_ID": "bmse000067", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1469", "ID": "bmse000067", "Title": "anthranilic_acid", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-03-26", "Original_release_date": "2006-02-23", "Or... |
bmse000068 | 1 | C([C@@H](C([C@H](CO)O)O)O)O | InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m0/s1 | L-(-) Arabitol | C5 H12 O5 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000068", "Sf_ID": "1498", "ID": "1", "Provenance": "PubChem", "Name": "L-(-) Arabitol", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by":... | [{"Type": "isomeric", "String": "C([C@@H](C([C@H](CO)O)O)O)O", "Sf_ID": "1498", "Entry_ID": "bmse000068", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(C(C(C(CO)O)O)O)O", "Sf_ID": "1498", "Entry_ID": "bmse000068", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1492", "ID": "bmse000068", "Title": "L_arabitol", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-03-26", "Original_release_date": "2006-02-23", "Originat... |
bmse000069 | 1 | C[N+](C)(C)CC(=O)[O-] | InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3 | Betaine | C5 H11 N O2 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000069", "Sf_ID": "1520", "ID": "1", "Provenance": "PubChem", "Name": "Betaine", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "", "R... | [{"Type": "isomeric", "String": "C[N+](C)(C)CC(=O)[O-]", "Sf_ID": "1520", "Entry_ID": "bmse000069", "Comp_ID": "1"}, {"Type": "canonical", "String": "C[N+](C)(C)CC(=O)[O-]", "Sf_ID": "1520", "Entry_ID": "bmse000069", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1514", "ID": "bmse000069", "Title": "betaine", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-03-26", "Original_release_date": "2006-02-23", "Origination... |
bmse000070 | 1 | C[N+](C)(C)CC=O | InChI=1S/C5H12NO/c1-6(2,3)4-5-7/h5H,4H2,1-3H3/q+1 | Betaine aldehyde | C5 H12 N O + | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000070", "Sf_ID": "1544", "ID": "1", "Provenance": "PubChem", "Name": "Betaine aldehyde", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by... | [{"Type": "isomeric", "String": "C[N+](C)(C)CC=O", "Sf_ID": "1544", "Entry_ID": "bmse000070", "Comp_ID": "1"}, {"Type": "canonical", "String": "C[N+](C)(C)CC=O", "Sf_ID": "1544", "Entry_ID": "bmse000070", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1538", "ID": "bmse000070", "Title": "betaine_aldehyde", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Or... |
bmse000071 | 1 | C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)OP(=O)(O1)O | InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | cyclic AMP | C10 H12 N5 O6 P | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000071", "Sf_ID": "1566", "ID": "1", "Provenance": "PubChem", "Name": "cyclic AMP", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "",... | [{"Type": "isomeric", "String": "C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)OP(=O)(O1)O", "Sf_ID": "1566", "Entry_ID": "bmse000071", "Comp_ID": "1"}, {"Type": "canonical", "String": "C1C2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)OP(=O)(O1)O", "Sf_ID": "1566", "Entry_ID": "bmse000071", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1560", "ID": "bmse000071", "Title": "cAMP", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Origination": ... |
bmse000072 | 1 | C(CCN)CCN | InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2 | Cadaverine | C5 H14 N2 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000072", "Sf_ID": "1588", "ID": "1", "Provenance": "PubChem", "Name": "Cadaverine", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "",... | [{"Type": "isomeric", "String": "C(CCN)CCN", "Sf_ID": "1588", "Entry_ID": "bmse000072", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(CCN)CCN", "Sf_ID": "1588", "Entry_ID": "bmse000072", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1582", "ID": "bmse000072", "Title": "cadaverine", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-03-26", "Original_release_date": "2006-02-23", "Originat... |
bmse000073 | 1 | C(CON=C(N)N)[C@@H](C(=O)O)N | InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/t3-/m0/s1 | L-Canavanine | C5 H12 N4 O3 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000073", "Sf_ID": "1608", "ID": "1", "Provenance": "PubChem", "Name": "L-Canavanine", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "... | [{"Type": "isomeric", "String": "C(CON=C(N)N)[C@@H](C(=O)O)N", "Sf_ID": "1608", "Entry_ID": "bmse000073", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(CON=C(N)N)C(C(=O)O)N", "Sf_ID": "1608", "Entry_ID": "bmse000073", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1602", "ID": "bmse000073", "Title": "L_canavanine", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Origin... |
bmse000074 | 1 | C[N+](C)(C)CC(CC(=O)[O-])O | InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/p+1/t6-/m1/s1 | D-Carnitine | C7 H16 N O3 + | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000074", "Sf_ID": "1631", "ID": "1", "Provenance": "PubChem", "Name": "D-Carnitine", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": ""... | [{"Type": "isomeric", "String": "C[N+](C)(C)CC(CC(=O)[O-])O", "Sf_ID": "1631", "Entry_ID": "bmse000074", "Comp_ID": "1"}, {"Type": "canonical", "String": "C[N+](C)(C)CC(CC(=O)[O-])O", "Sf_ID": "1631", "Entry_ID": "bmse000074", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1625", "ID": "bmse000074", "Title": "D_carnitine", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-03-26", "Original_release_date": "2006-02-23", "Origina... |
bmse000075 | 1 | C=C(C(=O)O)O[C@@H]1C=C(C=C[C@H]1O)C(=O)O | InChI=1S/C10H10O6/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/t7-,8-/m1/s1 | Chorismic acid | C10 H10 O6 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000075", "Sf_ID": "1655", "ID": "1", "Provenance": "PubChem", "Name": "Chorismic acid", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by":... | [{"Type": "isomeric", "String": "C=C(C(=O)O)O[C@@H]1C=C(C=C[C@H]1O)C(=O)O", "Sf_ID": "1655", "Entry_ID": "bmse000075", "Comp_ID": "1"}, {"Type": "canonical", "String": "C=C(C(=O)O)OC1C=C(C=CC1O)C(=O)O", "Sf_ID": "1655", "Entry_ID": "bmse000075", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1649", "ID": "bmse000075", "Title": "chorismic_acid", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Orig... |
bmse000076 | 1 | C(C(=O)O)C(CC(=O)O)(C(=O)O)O | InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) | Citrate | C6 H8 O7 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000076", "Sf_ID": "1677", "ID": "1", "Provenance": "PubChem", "Name": "Citrate", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "", "R... | [{"Type": "isomeric", "String": "C(C(=O)O)C(CC(=O)O)(C(=O)O)O", "Sf_ID": "1677", "Entry_ID": "bmse000076", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(C(=O)O)C(CC(=O)O)(C(=O)O)O", "Sf_ID": "1677", "Entry_ID": "bmse000076", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1671", "ID": "bmse000076", "Title": "citrate", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-03-26", "Original_release_date": "2006-02-23", "Origination... |
bmse000077 | 1 | C1=CC=C2C(=C1)C=CC(=O)O2 | InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H | Coumarin | C9 H6 O2 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000077", "Sf_ID": "1701", "ID": "1", "Provenance": "PubChem", "Name": "Coumarin", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "", "... | [{"Type": "isomeric", "String": "C1=CC=C2C(=C1)C=CC(=O)O2", "Sf_ID": "1701", "Entry_ID": "bmse000077", "Comp_ID": "1"}, {"Type": "canonical", "String": "C1=CC=C2C(=C1)C=CC(=O)O2", "Sf_ID": "1701", "Entry_ID": "bmse000077", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1695", "ID": "bmse000077", "Title": "coumarin", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Originatio... |
bmse000078 | 1 | CN(CC(=O)O)C(=N)N | InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9) | Creatine | C4 H9 N3 O2 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000078", "Sf_ID": "1723", "ID": "1", "Provenance": "PubChem", "Name": "Creatine", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "", "... | [{"Type": "isomeric", "String": "CN(CC(=O)O)C(=N)N", "Sf_ID": "1723", "Entry_ID": "bmse000078", "Comp_ID": "1"}, {"Type": "canonical", "String": "CN(CC(=O)O)C(=N)N", "Sf_ID": "1723", "Entry_ID": "bmse000078", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1717", "ID": "bmse000078", "Title": "creatine", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-03-26", "Original_release_date": "2006-02-23", "Originatio... |
bmse000079 | 1 | CN(CC(=O)O)C(=NP(=O)(O)O)N | InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12) | Creatine phosphate | C4 H10 N3 O5 P | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000079", "Sf_ID": "1747", "ID": "1", "Provenance": "PubChem", "Name": "Creatine phosphate", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_... | [{"Type": "isomeric", "String": "CN(CC(=O)O)C(=NP(=O)(O)O)N", "Sf_ID": "1747", "Entry_ID": "bmse000079", "Comp_ID": "1"}, {"Type": "canonical", "String": "CN(CC(=O)O)C(=NP(=O)(O)O)N", "Sf_ID": "1747", "Entry_ID": "bmse000079", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1741", "ID": "bmse000079", "Title": "creatine_phosphate", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "... |
bmse000080 | 1 | C1C=CC(N1)C(=O)O | InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h1-2,4,6H,3H2,(H,7,8)/t4-/m0/s1 | 3,4-Dehydro-d/L-proline | C5 H7 N O2 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000080", "Sf_ID": "1768", "ID": "1", "Provenance": "PubChem", "Name": "3,4-Dehydro-d/L-proline", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Repl... | [{"Type": "isomeric", "String": "C1C=CC(N1)C(=O)O", "Sf_ID": "1768", "Entry_ID": "bmse000080", "Comp_ID": "1"}, {"Type": "canonical", "String": "C1C=CC(N1)C(=O)O", "Sf_ID": "1768", "Entry_ID": "bmse000080", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1762", "ID": "bmse000080", "Title": "dehydro_proline", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Ori... |
bmse000083 | 1 | C(=C\C(=O)O)/C(=O)O | InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+ | Fumaric acid | C4 H4 O4 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000083", "Sf_ID": "1790", "ID": "1", "Provenance": "PubChem", "Name": "Fumaric acid", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "... | [{"Type": "isomeric", "String": "C(=C\\C(=O)O)/C(=O)O", "Sf_ID": "1790", "Entry_ID": "bmse000083", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(=CC(=O)O)C(=O)O", "Sf_ID": "1790", "Entry_ID": "bmse000083", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1784", "ID": "bmse000083", "Title": "fumaric_acid", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Origin... |
bmse000084 | 1 | C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O | InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1 | Gluconic acid | C6 H12 O7 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000084", "Sf_ID": "1812", "ID": "1", "Provenance": "PubChem", "Name": "Gluconic acid", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": ... | [{"Type": "isomeric", "String": "C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O", "Sf_ID": "1812", "Entry_ID": "bmse000084", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(C(C(C(C(C(=O)O)O)O)O)O)O", "Sf_ID": "1812", "Entry_ID": "bmse000084", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1806", "ID": "bmse000084", "Title": "gluconic_acid", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Origi... |
bmse000086 | 1 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O | InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1 | alpha-D-Glucose-1-phosphate | C6 H13 O9 P | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000086", "Sf_ID": "1834", "ID": "1", "Provenance": "PubChem", "Name": "alpha-D-Glucose-1-phosphate", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "... | [{"Type": "isomeric", "String": "C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O", "Sf_ID": "1834", "Entry_ID": "bmse000086", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O", "Sf_ID": "1834", "Entry_ID": "bmse000086", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1828", "ID": "bmse000086", "Title": "alpha_D_glucose_1_phosphate", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-... |
bmse000087 | 1 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)OP(=O)(O)O | InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5-,6-/m1/s1 | alpha-D-Glucose 1,6-bisphosphate | C6 H14 O12 P2 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000087", "Sf_ID": "1856", "ID": "1", "Provenance": "PubChem", "Name": "alpha-D-Glucose 1,6-bisphosphate", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": ... | [{"Type": "isomeric", "String": "C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)OP(=O)(O)O", "Sf_ID": "1856", "Entry_ID": "bmse000087", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)OP(=O)(O)O", "Sf_ID": "1856", "Entry_ID": "bmse000087", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1850", "ID": "bmse000087", "Title": "alpha_D_glucose_1_6_bisphosphate", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "... |
bmse000089 | 1 | C(C(=O)O)N | InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5) | Glycine | C2 H5 N O2 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000089", "Sf_ID": "1878", "ID": "1", "Provenance": "PubChem", "Name": "Glycine", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "", "R... | [{"Type": "isomeric", "String": "C(C(=O)O)N", "Sf_ID": "1878", "Entry_ID": "bmse000089", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(C(=O)O)N", "Sf_ID": "1878", "Entry_ID": "bmse000089", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1872", "ID": "bmse000089", "Title": "glycine", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Origination... |
bmse000090 | 1 | C1=NC2=C(N1)C(=O)N=C(N2)N | InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11) | Guanine | C5 H5 N5 O | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000090", "Sf_ID": "1901", "ID": "1", "Provenance": "PubChem", "Name": "Guanine", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "", "R... | [{"Type": "isomeric", "String": "C1=NC2=C(N1)C(=O)N=C(N2)N", "Sf_ID": "1901", "Entry_ID": "bmse000090", "Comp_ID": "1"}, {"Type": "canonical", "String": "C1=NC2=C(N1)C(=O)N=C(N2)N", "Sf_ID": "1901", "Entry_ID": "bmse000090", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1895", "ID": "bmse000090", "Title": "guanine", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Origination... |
bmse000091 | 1 | C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=NC2=O)N | InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1 | Guanosine | C10 H13 N5 O5 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000091", "Sf_ID": "1923", "ID": "1", "Provenance": "PubChem", "Name": "Guanosine", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "", ... | [{"Type": "isomeric", "String": "C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=NC2=O)N", "Sf_ID": "1923", "Entry_ID": "bmse000091", "Comp_ID": "1"}, {"Type": "canonical", "String": "C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=O)N", "Sf_ID": "1923", "Entry_ID": "bmse000091", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1917", "ID": "bmse000091", "Title": "guanosine", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-03-26", "Original_release_date": "2006-02-23", "Originati... |
bmse000092 | 1 | C1=CC(=CC=C1C(=O)O)O | InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10) | 4-Hydroxy-benzoic acid | C7 H6 O3 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000092", "Sf_ID": "1950", "ID": "1", "Provenance": "PubChem", "Name": "4-Hydroxy-benzoic acid", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Repla... | [{"Type": "isomeric", "String": "C1=CC(=CC=C1C(=O)O)O", "Sf_ID": "1950", "Entry_ID": "bmse000092", "Comp_ID": "1"}, {"Type": "canonical", "String": "C1=CC(=CC=C1C(=O)O)O", "Sf_ID": "1950", "Entry_ID": "bmse000092", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1944", "ID": "bmse000092", "Title": "4_hydroxybenzoic_acid", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23"... |
bmse000093 | 1 | C1=CC(=CC(=C1)O)\C=C\C(=O)O | InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+ | trans-3-Hydroxycinnamic acid | C9 H8 O3 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000093", "Sf_ID": "1971", "ID": "1", "Provenance": "PubChem", "Name": "trans-3-Hydroxycinnamic acid", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", ... | [{"Type": "isomeric", "String": "C1=CC(=CC(=C1)O)\\C=C\\C(=O)O", "Sf_ID": "1971", "Entry_ID": "bmse000093", "Comp_ID": "1"}, {"Type": "canonical", "String": "C1=CC(=CC(=C1)O)C=CC(=O)O", "Sf_ID": "1971", "Entry_ID": "bmse000093", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1965", "ID": "bmse000093", "Title": "trans_3_hydroxycinnamic_acid", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006... |
bmse000094 | 1 | C1=NC2=C(N1)C(=O)N=CN2 | InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10) | Hypoxanthine | C5 H4 N4 O | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000094", "Sf_ID": "1993", "ID": "1", "Provenance": "PubChem", "Name": "Hypoxanthine", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "... | [{"Type": "isomeric", "String": "C1=NC2=C(N1)C(=O)N=CN2", "Sf_ID": "1993", "Entry_ID": "bmse000094", "Comp_ID": "1"}, {"Type": "canonical", "String": "C1=NC2=C(N1)C(=O)N=CN2", "Sf_ID": "1993", "Entry_ID": "bmse000094", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "1987", "ID": "bmse000094", "Title": "hypoxanthine", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Origin... |
bmse000095 | 1 | C(C(C(CO)O)O)O | InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4+ | i-Erythritol | C4 H10 O4 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000095", "Sf_ID": "2015", "ID": "1", "Provenance": "PubChem", "Name": "i-Erythritol", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "... | [{"Type": "isomeric", "String": "C(C(C(CO)O)O)O", "Sf_ID": "2015", "Entry_ID": "bmse000095", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(C(C(CO)O)O)O", "Sf_ID": "2015", "Entry_ID": "bmse000095", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "2009", "ID": "bmse000095", "Title": "i_erythritol", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Origin... |
bmse000096 | 1 | C1=CN=CN1 | InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5) | Imidazole | C3 H4 N2 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000096", "Sf_ID": "2037", "ID": "1", "Provenance": "PubChem", "Name": "Imidazole", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "", ... | [{"Type": "isomeric", "String": "C1=CN=CN1", "Sf_ID": "2037", "Entry_ID": "bmse000096", "Comp_ID": "1"}, {"Type": "canonical", "String": "C1=CN=CN1", "Sf_ID": "2037", "Entry_ID": "bmse000096", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "2031", "ID": "bmse000096", "Title": "imidazole", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Originati... |
bmse000097 | 1 | C1=CC=C2C(=C1)C=CN2 | InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H | Indole | C8 H7 N | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000097", "Sf_ID": "2059", "ID": "1", "Provenance": "PubChem", "Name": "Indole", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "", "Re... | [{"Type": "isomeric", "String": "C1=CC=C2C(=C1)C=CN2", "Sf_ID": "2059", "Entry_ID": "bmse000097", "Comp_ID": "1"}, {"Type": "canonical", "String": "C1=CC=C2C(=C1)C=CN2", "Sf_ID": "2059", "Entry_ID": "bmse000097", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "2053", "ID": "bmse000097", "Title": "indole", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Origination"... |
bmse000098 | 1 | C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)CO)O)O | InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1 | Inosine | C10 H12 N4 O5 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000098", "Sf_ID": "2081", "ID": "1", "Provenance": "PubChem", "Name": "Inosine", "Type": "non-polymer", "BMRB_code": "bmse000098", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_b... | [{"Type": "canonical", "String": "C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)CO)O)O", "Sf_ID": "2081", "Entry_ID": "bmse000098", "Comp_ID": "1"}, {"Type": "isotoopic", "String": "C1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O", "Sf_ID": "2081", "Entry_ID": "bmse000098", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "2075", "ID": "bmse000098", "Title": "inosine", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-03-26", "Original_release_date": "2006-02-23", "Origination... |
bmse000099 | 1 | C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O | InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1 | D-Mannitol | C6 H14 O6 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000099", "Sf_ID": "2106", "ID": "1", "Provenance": "PubChem", "Name": "D-Mannitol", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "",... | [{"Type": "isomeric", "String": "C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O", "Sf_ID": "2106", "Entry_ID": "bmse000099", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(C(C(C(C(CO)O)O)O)O)O", "Sf_ID": "2106", "Entry_ID": "bmse000099", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "2100", "ID": "bmse000099", "Title": "D_mannitol", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Originat... |
bmse000100 | 1 | C(C(C(CO)O)O)O | InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4+ | meso-Erythritol | C4 H10 O4 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000100", "Sf_ID": "2128", "ID": "1", "Provenance": "PubChem", "Name": "meso-Erythritol", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by"... | [{"Type": "isomeric", "String": "C(C(C(CO)O)O)O", "Sf_ID": "2128", "Entry_ID": "bmse000100", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(C(C(CO)O)O)O", "Sf_ID": "2128", "Entry_ID": "bmse000100", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "2122", "ID": "bmse000100", "Title": "meso_erythritol", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Ori... |
bmse000101 | 1 | CC(C)C(=O)C(=O)O | InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8) | 3-Methyl-2-oxobutinoic acid | C5 H8 O3 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000101", "Sf_ID": "2150", "ID": "1", "Provenance": "PubChem", "Name": "3-Methyl-2-oxobutinoic acid", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "... | [{"Type": "isomeric", "String": "CC(C)C(=O)C(=O)O", "Sf_ID": "2150", "Entry_ID": "bmse000101", "Comp_ID": "1"}, {"Type": "canonical", "String": "CC(C)C(=O)C(=O)O", "Sf_ID": "2150", "Entry_ID": "bmse000101", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "2144", "ID": "bmse000101", "Title": "methyl_oxobutanoic_acid", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-2... |
bmse000102 | 1 | C1(C(C(C(C(C1O)O)O)O)O)O | InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5+,6+ | muco-Inositol | C6 H12 O6 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000102", "Sf_ID": "2172", "ID": "1", "Provenance": "BMRB", "Name": "muco-Inositol", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "",... | [{"Type": "isomeric", "String": "C1(C(C(C(C(C1O)O)O)O)O)O", "Sf_ID": "2172", "Entry_ID": "bmse000102", "Comp_ID": "1"}, {"Type": "canonical", "String": "C1(C(C(C(C(C1O)O)O)O)O)O", "Sf_ID": "2172", "Entry_ID": "bmse000102", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "2166", "ID": "bmse000102", "Title": "muco_inositol", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Origi... |
bmse000103 | 1 | C1(C(C(C(C(C1O)O)O)O)O)O | InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- | myo-Inositol | C6 H12 O6 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000103", "Sf_ID": "2194", "ID": "1", "Provenance": "BMRB", "Name": "myo-Inositol", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "", ... | [{"Type": "isomeric", "String": "C1(C(C(C(C(C1O)O)O)O)O)O", "Sf_ID": "2194", "Entry_ID": "bmse000103", "Comp_ID": "1"}, {"Type": "canonical", "String": "C1(C(C(C(C(C1O)O)O)O)O)O", "Sf_ID": "2194", "Entry_ID": "bmse000103", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "2188", "ID": "bmse000103", "Title": "myo_inositol", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2013-02-27", "Original_release_date": "2006-02-23", "Origin... |
bmse000104 | 1 | C1=CC(=CN=C1)C(=O)O | InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) | Nicotinic acid | C6 H5 N O2 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000104", "Sf_ID": "2217", "ID": "1", "Provenance": "PubChem", "Name": "Nicotinic acid", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by":... | [{"Type": "isomeric", "String": "C1=CC(=CN=C1)C(=O)O", "Sf_ID": "2217", "Entry_ID": "bmse000104", "Comp_ID": "1"}, {"Type": "canonical", "String": "C1=CC(=CN=C1)C(=O)O", "Sf_ID": "2217", "Entry_ID": "bmse000104", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "2211", "ID": "bmse000104", "Title": "niacin", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Origination"... |
bmse000105 | 1 | CN1CCC[14C@H]1C2=CN=CC=C2 | InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 | (+/-) Nicotine | C10 H14 N2 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000105", "Sf_ID": "2239", "ID": "1", "Provenance": "PubChem", "Name": "(+/-) Nicotine", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by":... | [{"Type": "isomeric", "String": "CN1CCC[14C@H]1C2=CN=CC=C2", "Sf_ID": "2239", "Entry_ID": "bmse000105", "Comp_ID": "1"}, {"Type": "canonical", "String": "CN1CCCC1C2=CN=CC=C2", "Sf_ID": "2239", "Entry_ID": "bmse000105", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "2233", "ID": "bmse000105", "Title": "nicotine", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Originatio... |
bmse000106 | 1 | C(=O)(C(=O)O)O | InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6) | Oxalate | C2 H2 O4 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000106", "Sf_ID": "2261", "ID": "1", "Provenance": "PubChem", "Name": "Oxalate", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by": "", "R... | [{"Type": "isomeric", "String": "C(=O)(C(=O)O)O", "Sf_ID": "2261", "Entry_ID": "bmse000106", "Comp_ID": "1"}, {"Type": "canonical", "String": "C(=O)(C(=O)O)O", "Sf_ID": "2261", "Entry_ID": "bmse000106", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "2255", "ID": "bmse000106", "Title": "oxalate", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Origination... |
bmse000107 | 1 | C=C(C(=O)O)OP(=O)(O)[O-] | InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8) | Phosphoenolpyruvic acid | C3 H5 O6 P | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000107", "Sf_ID": "2279", "ID": "1", "Provenance": "PubChem", "Name": "Phosphoenolpyruvic acid", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Repl... | [{"Type": "isomeric", "String": "C=C(C(=O)O)OP(=O)(O)[O-]", "Sf_ID": "2279", "Entry_ID": "bmse000107", "Comp_ID": "1"}, {"Type": "canonical", "String": "C=C(C(=O)O)OP(=O)(O)[O-]", "Sf_ID": "2279", "Entry_ID": "bmse000107", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "2273", "ID": "bmse000107", "Title": "phosphoenolpyruvic_acid", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-2... |
bmse000108 | 1 | C1=CC(C=CC1O)(CC(=O)C(=O)O)C(=O)O | InChI=1S/C10H10O6/c11-6-1-3-10(4-2-6,9(15)16)5-7(12)8(13)14/h1-4,6,11H,5H2,(H,13,14)(H,15,16)/t6-,10+ | Prephenic acid | C10 H10 O6 | {"Sf_category": "chem_comp", "Sf_framecode": "chem_comp_1", "Entry_ID": "bmse000108", "Sf_ID": "2300", "ID": "1", "Provenance": "PubChem", "Name": "Prephenic acid", "Type": "non-polymer", "BMRB_code": "", "PDB_code": "", "Ambiguous_flag": "", "Initial_date": "", "Modified_date": "", "Release_status": "", "Replaced_by":... | [{"Type": "isomeric", "String": "C1=CC(C=CC1O)(CC(=O)C(=O)O)C(=O)O", "Sf_ID": "2300", "Entry_ID": "bmse000108", "Comp_ID": "1"}, {"Type": "canonical", "String": "C1=CC(C=CC1O)(CC(=O)C(=O)O)C(=O)O", "Sf_ID": "2300", "Entry_ID": "bmse000108", "Comp_ID": "1"}] | {"Sf_category": "entry_information", "Sf_framecode": "entry_information", "Sf_ID": "2294", "ID": "bmse000108", "Title": "prephenic_acid", "Type": "", "Version_type": "update", "Submission_date": "2006-02-23", "Accession_date": "2006-02-23", "Last_release_date": "2012-10-17", "Original_release_date": "2006-02-23", "Orig... |
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