Title stringlengths 2 865 ⌀ | IUPAC stringlengths 3 2.48k ⌀ | InChI stringlengths 10 3.59k ⌀ | InChI_key stringlengths 27 27 ⌀ | SMILES stringlengths 1 1.45k ⌀ | Date stringdate 2004-09-16 00:00:00 2025-01-24 00:00:00 ⌀ | Synonym stringlengths 4 256k ⌀ | MeSH stringlengths 3 228 | __index_level_0__ int64 1 173M |
|---|---|---|---|---|---|---|---|---|
Beta-Lysine | 3,6-diaminohexanoic acid | InChI=1S/C6H14N2O2/c7-3-1-2-5(8)4-6(9)10/h5H,1-4,7-8H2,(H,9,10) | QKEWQOJCHPFEAF-UHFFFAOYSA-N | C(CC(CC(=O)O)N)CN | 2005-06-23 | beta-lysine|3,6-Diaminohexanoic acid|4299-56-3|Hexanoic acid, 3,6-diamino-|Isolysine|3,6-diamino-Hexanoic acid|57PAY56Q9J|DTXSID20962838|ISOLYSIN|3,6-Diaminohexanoicacid|.BETA.-LYSINE|UNII-57PAY56Q9J|SCHEMBL159650|CHEMBL5222185|DTXCID001390622|AKOS006341734|(+-)-3,6-DIAMINO-HEXANOIC ACID|EN300-719134|Q2930104 | beta-lysine | 392 |
Indole-3-acetamide | 2-(1H-indol-3-yl)acetamide | InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13) | ZOAMBXDOGPRZLP-UHFFFAOYSA-N | C1=CC=C2C(=C1)C(=CN2)CC(=O)N | 2004-09-16 | indole-3-acetamide|879-37-8|2-(1H-Indol-3-yl)acetamide|3-Indoleacetamide|1H-Indole-3-acetamide|Indoleacetamide|3-Indolylacetamide|(indol-3-yl)acetamide|MFCD00005641|1H-Indol-3-ylacetamide|2-(3-Indolyl)acetamide|NSC 1969|1-Indole-3-acetamide|Indole-3-acetamide (6CI,8CI)|NSC-1969|EINECS 212-904-4|UNII-O9SEW65XW3|Indole-3... | indoleacetamide | 397 |
2-Nitropropane | 2-nitropropane | InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3 | FGLBSLMDCBOPQK-UHFFFAOYSA-N | CC(C)[N+](=O)[O-] | 2004-09-16 | 2-nitropropane|79-46-9|Propane, 2-nitro-|Isonitropropane|Dimethylnitromethane|Nitroisopropane|sec-Nitropropane|2-Nitro-propane|Nipar S-20|beta-Nitropropane|Nipar S-20 solvent|Nipar S-30 solvent|Isonitro propane|Nitropropane, 2-|1-Methylnitroethane|RCRA waste number U171|NSC 5369|CCRIS 453|HSDB 1134|UNII-GKV234L2QH|i-C3... | 2-nitropropane | 398 |
Hydrogen Sulfide | sulfane | InChI=1S/H2S/h1H2 | RWSOTUBLDIXVET-UHFFFAOYSA-N | S | 2004-09-16 | hydrogen sulfide|sulfane|Hydrosulfuric acid|Dihydrogen monosulfide|Stink DAMP|Hydrogen sulphide|Dihydrogen sulfide|Sulfureted hydrogen|7783-06-4|Sewer gas|Hydrogene sulfure|Acide sulfhydrique|Schwefelwasserstoff|Netzschwefel|Zwavelwaterstof|Kolospray|Liquamat|Micowetsulf|Microflotox|Siarkowodor|Colsul|Crystex|Elosal|He... | Hydrogen Sulfide | 402 |
p-Aminophenol | 4-aminophenol | InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2 | PLIKAWJENQZMHA-UHFFFAOYSA-N | C1=CC(=CC=C1N)O | 2004-09-16 | 4-aminophenol|123-30-8|p-aminophenol|4-hydroxyaniline|p-hydroxyaniline|Phenol, 4-amino-|Paranol|4-aminobenzenol|Certinal|Citol|Fouramine P|p-Hydroxyphenylamine|Rodinal|Ursol P Base|Azol|Benzofur P|Fourrine P Base|Pelagol P Base|Tertral P Base|Ursol P|Durafur Brown RB|Furro P Base|Nako Brown R|Renal AC|4-Amino-1-hydroxy... | 4-aminophenol | 403 |
7beta-Hydroxycholes-terol | 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol | InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3 | OYXZMSRRJOYLLO-UHFFFAOYSA-N | CC(C)CCCC(C)C1CCC2C1(CCC3C2C(C=C4C3(CCC(C4)O)C)O)C | 2005-06-23 | 7-HYDROXYCHOLESTEROL|MFCD00058406|7?-Hydroxycholesterol|7beta-hydroxycholes-terol|Oprea1_233517|cholest-5-en-3beta,7beta-diol|SCHEMBL12198153|7beta-Hydroxycholesterol, >=95%|AKOS024319523|LS-15218|PD016208 | cholest-5-en-3 beta,7 alpha-diol | 405 |
3-(1-Methyl-1-oxido-2-pyrrolidinyl)pyridine | 3-(1-methyl-1-oxidopyrrolidin-1-ium-2-yl)pyridine | InChI=1S/C10H14N2O/c1-12(13)7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3 | RWFBQHICRCUQJJ-UHFFFAOYSA-N | C[N+]1(CCCC1C2=CN=CC=C2)[O-] | 2004-09-16 | Nicotine 1-N-oxide|63551-14-4|3-(1-methyl-1-oxidopyrrolidin-1-ium-2-yl)pyridine|nicotine N(1')-oxide|Nicotine-1'-oxide|3-(1-Methyl-1-oxido-2-pyrrolidinyl)pyridine|SNICOTINEN1OXIDE|1-methyl-2-(3-pyridyl)pyrrolidine 1-oxide|Nicotine 1'-N-oxide|3-(1-methyl-1-oxidopyrrolidin-2-yl)pyridine|1-methyl-2-(3-pyridyl)-2,3,4,5-tet... | nicotine 1-N-oxide | 409 |
3-(Pyrrolidin-2-yl)pyridine | 3-pyrrolidin-2-ylpyridine | InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2 | MYKUKUCHPMASKF-UHFFFAOYSA-N | C1CC(NC1)C2=CN=CC=C2 | 2005-03-27 | 3-(pyrrolidin-2-yl)pyridine|5746-86-1|nornicotine|3-(2-Pyrrolidinyl)pyridine|(R,S)-Nornicotine|3-pyrrolidin-2-ylpyridine|(+/-)-Nornicotine|3-pyrrolidin-2-yl-pyridine|(+-)-Nornicotine|DL-NORNICOTINE|(+-)-1'-Demethylnicotine|MFCD00016913|2-(3-Pyridyl)pyrrolidine|3-(2-Pyrrolidyl)pyridine|(+-)-3-(2-Pyrrolidinyl)pyridine|CH... | nornicotine | 412 |
(+-)-Norcotinine | 5-pyridin-3-ylpyrrolidin-2-one | InChI=1S/C9H10N2O/c12-9-4-3-8(11-9)7-2-1-5-10-6-7/h1-2,5-6,8H,3-4H2,(H,11,12) | FXFANIORDKRCCA-UHFFFAOYSA-N | C1CC(=O)NC1C2=CN=CC=C2 | 2005-06-23 | norcotinine|(R,S)-Norcotinine|17708-87-1|5-(PYRIDIN-3-YL)PYRROLIDIN-2-ONE|5-pyridin-3-ylpyrrolidin-2-one|17114-40-8|5-(3-pyridinyl)-2-pyrrolidinone|(RS)-Norcotinine|5-Pyridin-3-yl-pyrrolidin-2-one|(S)-5-Pyridin-3-yl-pyrrolidin-2-one|CHEBI:89406|DTXSID10864736|(R)-5-Pyridin-3-yl-pyrrolidin-2-one|(5RS)-5-(Pyridin-3-yl)py... | norcotinine | 413 |
3,5-Cyclohexadiene-1,2-diol | cyclohexa-3,5-diene-1,2-diol | InChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-8H | YDRSQRPHLBEPTP-UHFFFAOYSA-N | C1=CC(C(C=C1)O)O | 2005-03-27 | 3,5-Cyclohexadiene-1,2-diol|75453-80-4|cyclohexa-3,5-diene-1,2-diol|5,6-Dihydroxycyclohexa-1,3-diene|Benzene cis-glycol|Benzene dihydrodiol|CCRIS 8062|BENZENEDIHYDRODIOL|SCHEMBL360628|1,2-dihydrobenzene-1,2-diol|CHEBI:18887|DTXSID30869389|1,2-Dihydro-1,2-dihydroxybenzene|Q27109097|dissodium 6-chloro-4-oxo-10-propyl-4H-... | 5,6-dihydroxycyclohexa-1,3-diene | 418 |
Dihydrolipoic Acid | 6,8-bis(sulfanyl)octanoic acid | InChI=1S/C8H16O2S2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H,9,10) | IZFHEQBZOYJLPK-UHFFFAOYSA-N | C(CCC(=O)O)CC(CCS)S | 2004-09-16 | Dihydrolipoic acid|462-20-4|Dihydrothioctic acid|6,8-Dimercaptooctanoic acid|dihydrolipoate|6,8-disulfanyloctanoic acid|Reduced lipoic acid|Dihydrolipoicacid|DHLA|6,8-Dihydrothioctic acid|Reduced thioctic acid|Lipoic acid, dihydro-|Thioctic acid, dihydro-|gamma-Lipoic Acid|6,8-bis(sulfanyl)octanoic acid|dihydro-lipoic ... | dihydrolipoic acid | 421 |
DL-Aspartic acid | 2-aminobutanedioic acid | InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9) | CKLJMWTZIZZHCS-UHFFFAOYSA-N | C(C(C(=O)O)N)C(=O)O | 2004-09-16 | DL-ASPARTIC ACID|617-45-8|2-aminobutanedioic acid|DL-Aminosuccinic acid|DL-Asparagic acid|Aspartic acid, DL-|DL-Asp-OH|Acid D,L-aspart|(+-)-Aspartic acid|(R,S)-Aspartic acid|Aminosuccinic acid|(+/-)-2-Aminosuccinic acid|(+/-)-Aspartic Acid|MFCD00063083|DL-ASPARTIC ACID (3-13C)|DL-ASPARTIC ACID (4-13C)|L-ASPARTIC-4-13C ... | Aspartic Acid | 424 |
D-Glutamic acid,N-[(1S)-4-[(aminoiminomethyl)amino]-1-carboxybutyl]- | 2-[[1-carboxy-4-(diaminomethylideneamino)butyl]amino]pentanedioic acid | InChI=1S/C11H20N4O6/c12-11(13)14-5-1-2-6(9(18)19)15-7(10(20)21)3-4-8(16)17/h6-7,15H,1-5H2,(H,16,17)(H,18,19)(H,20,21)(H4,12,13,14) | LMKYZBGVKHTLTN-UHFFFAOYSA-N | C(CC(C(=O)O)NC(CCC(=O)O)C(=O)O)CN=C(N)N | 2005-06-23 | Nopaline|D-Glutamic acid,N-[(1S)-4-[(aminoiminomethyl)amino]-1-carboxybutyl]-|2-[[1-carboxy-4-(diaminomethylideneamino)butyl]amino]pentanedioic acid|SCHEMBL7823704|LMKYZBGVKHTLTN-UHFFFAOYSA-N|AKOS030241204|DB-231572|Q12249107 | nopaline | 426 |
1,3-Diaminopropane | propane-1,3-diamine | InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2 | XFNJVJPLKCPIBV-UHFFFAOYSA-N | C(CN)CN | 2004-09-16 | 1,3-diaminopropane|1,3-Propanediamine|Propane-1,3-diamine|109-76-2|Trimethylenediamine|1,3-Propylenediamine|3-Aminopropylamine|alpha,omega-Propanediamine|CCRIS 4054|BRN 0605277|UNII-CB3ISL56KG|AI3-25358|NSC 8154|1,3diaminopropane|a,w-Propanediamine|EINECS 203-702-7|MFCD00008228|H2N(CH2)3NH2|CHEBI:15725|1,3-Trimethylene... | trimethylenediamine | 428 |
1-Methyl-3-(1-methyl-2-pyrrolidinyl)pyridinium | 1-methyl-3-(1-methylpyrrolidin-2-yl)pyridin-1-ium | InChI=1S/C11H17N2/c1-12-7-3-5-10(9-12)11-6-4-8-13(11)2/h3,5,7,9,11H,4,6,8H2,1-2H3/q+1 | HIOROZIUERMMRQ-UHFFFAOYSA-N | CN1CCCC1C2=C[N+](=CC=C2)C | 2005-03-26 | N-Methylnicotinium|24554-05-0|Nicotine isomethiodide|N-methylnicotinium ion|N-Methylnicotinium acetate|1-methyl-3-(1-methylpyrrolidin-2-yl)pyridin-1-ium|1-Methyl-3-(1-methyl-2-pyrrolidinyl)pyridinium|nicotine isomethonium ion|1-methyl-3-(1-methyl-pyrrolidin-2-yl)-pyridinium|(S)-1-Methylnicotinium cation|SCHEMBL13527324... | N-methylnicotinium | 430 |
3,4-Dihydro-1-methyl-2-(3-pyridinyl)-2H-pyrrolium | 3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-2-yl)pyridine | InChI=1S/C10H13N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6-8,10H,3,5H2,1H3/q+1 | GTQXYYYOJZZJHL-UHFFFAOYSA-N | C[N+]1=CCCC1C2=CN=CC=C2 | 2005-06-23 | nicotine imine|nicotine iminium|3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-2-yl)pyridine|74710-78-4|72344-33-3|3,4-Dihydro-1-methyl-2-(3-pyridinyl)-2H-pyrrolium|11C-nicotine imine|(S)-1-(methylene-11C)-2-(3-pyridinyl)pyrrolidinium|CHEBI:173425|DTXSID801231086|nicotine-delta 1'-(5')-iminium|(S)-1-(methylene-11C)-2-(3-pyrid... | nicotine imine | 431 |
Pseudooxynicotine | 4-(methylamino)-1-pyridin-3-ylbutan-1-one | InChI=1S/C10H14N2O/c1-11-6-3-5-10(13)9-4-2-7-12-8-9/h2,4,7-8,11H,3,5-6H2,1H3 | SGDIDUFQYHRMPR-UHFFFAOYSA-N | CNCCCC(=O)C1=CN=CC=C1 | 2005-06-23 | pseudooxynicotine|2055-23-4|4-(methylamino)-1-(3-pyridyl)-1-butanone|4-(methylamino)-1-(pyridin-3-yl)butan-1-one|4-(methylamino)-1-pyridin-3-ylbutan-1-one|1-butanone, 4-(methylamino)-1-(3-pyridinyl)-|4-(methylamino)-1-(3-pyridinyl)-1-butanone|UNII-1NJL277R65|CHEBI:37753|1NJL277R65|DTXSID80174551|SCHEMBL5415831|CHEMBL35... | pseudooxynicotine | 434 |
4-Oxo-4-(3-pyridyl)-butanamide | 4-oxo-4-pyridin-3-ylbutanamide | InChI=1S/C9H10N2O2/c10-9(13)4-3-8(12)7-2-1-5-11-6-7/h1-2,5-6H,3-4H2,(H2,10,13) | DJEKVKGYYASXCW-UHFFFAOYSA-N | C1=CC(=CN=C1)C(=O)CCC(=O)N | 2005-06-23 | 4-oxo-4-(3-pyridyl)-butanamide|4-(3-pyridyl)-4-oxobutyramide|4-oxo-4-pyridin-3-ylbutanamide|gamma-Oxo-3-pyridinebutanamide|61192-49-2|4-oxo-4-(pyridin-3-yl)butanamide|POBAM|SCHEMBL5191849|CHEMBL3544622|CHEBI:166502|DTXSID401335828|4-oxo-4-(Pyridin-3-yl)butanimidate|NS00115020 | 4-(3-pyridyl)-4-oxobutyramide | 435 |
Oxoamide | N-methyl-4-oxo-4-pyridin-3-ylbutanamide | InChI=1S/C10H12N2O2/c1-11-10(14)5-4-9(13)8-3-2-6-12-7-8/h2-3,6-7H,4-5H2,1H3,(H,11,14) | WOOSCPWOYYLIHS-UHFFFAOYSA-N | CNC(=O)CCC(=O)C1=CN=CC=C1 | 2005-06-23 | Oxoamide|713-05-3|N-methyl-4-oxo-4-pyridin-3-ylbutanamide|4-oxo-4-(3-pyridyl)-N-methylbutanamide|gamma-(3-pyridyl)-gamma-oxo-N-methylbutyramide|OL86R2ULD8|4-(3-pyridyl)-4-oxo-N-methylbutyramide|N-methyl-4-oxo-4-(pyridin-3-yl)butanamide|N-METHYL-G-OXO-3-PYRIDINEBUTANAMIDE|UNII-OL86R2ULD8|SCHEMBL1954553|CHEMBL3544600|DTX... | oxoamide | 436 |
4-Oxo-4-(3-pyridyl)butanoic acid | 4-oxo-4-pyridin-3-ylbutanoic acid | InChI=1S/C9H9NO3/c11-8(3-4-9(12)13)7-2-1-5-10-6-7/h1-2,5-6H,3-4H2,(H,12,13) | JGSUNMCABQUBOY-UHFFFAOYSA-N | C1=CC(=CN=C1)C(=O)CCC(=O)O | 2005-06-23 | 4192-31-8|4-oxo-4-(pyridin-3-yl)butanoic acid|3-succinoylpyridine|4-Oxo-4-pyridin-3-yl-butyric acid|4-Oxo-4-(3-pyridyl)butyric acid|4-oxo-4-(3-pyridyl)butanoic acid|4-oxo-4-pyridin-3-ylbutanoic acid|gamma-oxo-3-pyridinebutyric acid|gamma-oxo-3-pyridinebutanoic acid|1-(3-pyridyl)-1-butanone-4-carboxylic acid|3-pyridineb... | 4-oxo-4-(3-pyridyl)butanoic acid | 437 |
4-Hydroxy-4-(3-pyridyl)-butanoic acid | 4-hydroxy-4-pyridin-3-ylbutanoic acid | InChI=1S/C9H11NO3/c11-8(3-4-9(12)13)7-2-1-5-10-6-7/h1-2,5-6,8,11H,3-4H2,(H,12,13) | STZOZPPVGWNSMC-UHFFFAOYSA-N | C1=CC(=CN=C1)C(CCC(=O)O)O | 2005-06-23 | 15569-97-8|4-hydroxy-4-(3-pyridyl)-butanoic acid|(-4-Hydroxy-4-(3-pyridyl)butanoic Acid|4-hydroxy-4-pyridin-3-ylbutanoic acid|4-hydroxy-4-(3-pyridyl)butyric acid|4-(3-pyridyl)-4-hydroxybutyric acid|AP9AJ7AWV9|gamma-Hydroxy-3-pyridinebutanoate|4-HYDROXY-4-(PYRIDIN-3-YL)BUTANOIC ACID|(+/-)-4-Hydroxy-4-(3-pyridyl)butanoic... | 4-hydroxy-4-(3-pyridyl)butanoic acid | 438 |
3-Hydroxybutyric acid | 3-hydroxybutanoic acid | InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7) | WHBMMWSBFZVSSR-UHFFFAOYSA-N | CC(CC(=O)O)O | 2005-03-26 | 3-hydroxybutyric acid|3-hydroxybutanoic acid|300-85-6|Butanoic acid, 3-hydroxy-|625-71-8|DL-3-Hydroxybutyric Acid|beta-Hydroxybutyric acid|3 HBA|3-Hydroxybuttersaeure|Butyric acid, 3-hydroxy-|DL-beta-Hydroxybutyric acid|beta-Hydroxybuttersaeure|26063-00-3|beta-Hydroxy-n-butyric acid|poly(3-hydroxybutyric acid)|3 Hydrox... | 3-Hydroxybutyric Acid | 441 |
Androstane-3,17-dione, (5alpha)- | 10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione | InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3 | RAJWOBJTTGJROA-UHFFFAOYSA-N | CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4=O)C | 2005-03-25 | Androstane-3,17-dione|10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione|Androstane-3,17-dione, (5.alpha.)-|NCIOpen2_002713|5|A-androstane-3,17-dione|CHEMBL74599|SCHEMBL15426613|5alpha-andro-stane-3,17-dione|ALBB-023671|MFCD00021122|AKOS004903617|LS-07472|SY288303|DB-049865|... | androstane-3,17-dione | 443 |
Bupropion | 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one | InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3 | SNPPWIUOZRMYNY-UHFFFAOYSA-N | CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C | 2005-03-25 | bupropion|Amfebutamone|34911-55-2|2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one|Amfebutamon|Wellbutrin|34841-39-9|amfebutamonum|Amfebutamona|Elontril|(+-)-Bupropion|Wellbatrin|Amfebutamonum [INN-Latin]|Zyban|Amfebutamona [INN-Spanish]|AMFEBUTAMONE HCl|Bupropion SR|bupropione|alpha-(tert-butylamino)-m-chloropropiop... | Bupropion | 444 |
2-(Tert-butylamino)-1-(3-chlorophenyl)propan-1-ol | 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol | InChI=1S/C13H20ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,12,15-16H,1-4H3 | NDPTTXIBLSWNSF-UHFFFAOYSA-N | CC(C(C1=CC(=CC=C1)Cl)O)NC(C)(C)C | 2005-06-23 | 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol|119802-68-5|3-Chloro-alpha-[1-[(1,1-dimethylethyl)amino]ethyl]benzenemethanol|threohydrobupropion|99102-04-2|erythrohydrobupropion|dihydrobupropion|ERYTHRO-HYDROBUPROPION(ACTIVE)|CHEMBL1304|SCHEMBL1226819|DTXSID50923119|FDA47843|SYB68477|SYB81508|AKOS015914528|AS-6119|N... | hydrobupropion | 445 |
1-(3-Chlorophenyl)-2-((1-hydroxy-2-methylpropan-2-yl)amino)propan-1-one | 1-(3-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]propan-1-one | InChI=1S/C13H18ClNO2/c1-9(15-13(2,3)8-16)12(17)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3 | AKOAEVOSDHIVFX-UHFFFAOYSA-N | CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)CO | 2005-06-23 | hydroxybupropion|92264-81-8|Hydroxybupropione|1-(3-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]propan-1-one|6-Hydroxybupropion|Hydroxybupropion, (+/-)-|BW-306U|DTXSID101002894|V94F513635|1-Propanone, 1-(3-chlorophenyl)-2-((2-hydroxy-1,1-dimethylethyl)amino)-|1-(3-chlorophenyl)-2-((1-hydroxy-2-methylpropan-2-y... | hydroxybupropion | 446 |
3-Chlorobenzoic Acid | 3-chlorobenzoic acid | InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10) | LULAYUGMBFYYEX-UHFFFAOYSA-N | C1=CC(=CC(=C1)Cl)C(=O)O | 2004-09-16 | 3-chlorobenzoic acid|535-80-8|m-chlorobenzoic acid|Benzoic acid, 3-chloro-|Benzoic acid, m-chloro-|3-chloro-benzoic acid|Acido m-clorobenzoico|MFCD00002491|CCRIS 5992|HSDB 6018|NSC 8443|EINECS 208-618-4|UNII-02UOJ7064K|BRN 0907218|DTXSID9024770|CHEBI:49410|AI3-17210|meta-chlorobenzoic acid|NSC-8443|CHEMBL20563|CHLOROBE... | 3-chlorobenzoic acid | 447 |
Mevalonic Acid | 3,5-dihydroxy-3-methylpentanoic acid | InChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9) | KJTLQQUUPVSXIM-UHFFFAOYSA-N | CC(CCO)(CC(=O)O)O | 2005-06-23 | 150-97-0|DL-Mevalonic acid|3,5-dihydroxy-3-methylpentanoic acid|(RS)-mevalonate|3,5-Dihydroxy-3-methyl-pentanoic acid|Pentanoic acid, 3,5-dihydroxy-3-methyl-|Hiochic acid|S5UOB36OCZ|RS-Mevalonic acid|HSDB 7681|(3RS)-Mevalonic acid|MEVALONIC ACID [MI]|MEVALONIC ACID [HSDB]|DL-Mevalonate|Acid, Mevalonic|(+/-)-MEVALONIC A... | Mevalonic Acid | 449 |
Hexitol | hexane-1,2,3,4,5,6-hexol | InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2 | FBPFZTCFMRRESA-UHFFFAOYSA-N | C(C(C(C(C(CO)O)O)O)O)O | 2005-03-25 | Hexitol|hexane-1,2,3,4,5,6-hexol|hexane-1,2,3,4,5,6-hexaol|87-78-5|D-Glucitol-2-13C|DL-Mannitol|Hexahydric alcohol|D-Glucitol-2-d|SORBITOL, (D)|Karion|Hexahydroxyhexane|NSC1944|NSC9256|NSC25944|1,2,3,4,5,6-Hexanehexol|D-Sorbitol-1-13C|D-Sorbitol-UL-14C|Fibrinogen fraction 1(from bovine plasma)|Resulax|Sorbilax|Sorbitur... | hexitol | 453 |
Octylaldehyde | octanal | InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3 | NUJGJRNETVAIRJ-UHFFFAOYSA-N | CCCCCCCC=O | 2004-09-16 | Octanal|124-13-0|Caprylaldehyde|Caprylic aldehyde|n-Octanal|1-octanal|n-Octyl aldehyde|n-Octaldehyde|n-Caprylaldehyde|Octanaldehyde|n-Octanaldehyde|n-Octylal|Aldehyde C-8|Octanoic aldehyde|Octyl aldehyde|C-8 aldehyde|Octaldehyde|OCTYLALDEHYDE|1-Octylaldehyde|1-Octaldehyde|1-Caprylaldehyde|Aldehyde C8|Antifoam-LF|Oktyla... | caprylic aldehyde | 454 |
Oxaluric acid | 2-(carbamoylamino)-2-oxoacetic acid | InChI=1S/C3H4N2O4/c4-3(9)5-1(6)2(7)8/h(H,7,8)(H3,4,5,6,9) | UWBHMRBRLOJJAA-UHFFFAOYSA-N | C(=O)(C(=O)O)NC(=O)N | 2004-09-16 | Oxaluric acid|585-05-7|3-Oxaluric acid|oxalureate|Monooxalylurea|2-(carbamoylamino)-2-oxoacetic acid|ureido(oxo)acetic acid|Acetic acid, [(aminocarbonyl)amino]oxo-|Acetic acid, ((aminocarbonyl)amino)oxo-|Carbamoyloxamic acid|Carbamoyloxalamidsaeure|onooxalylurea|Oxalursaure|2-oxo-2-ureidoacetic acid|carbamoylamino(oxo)... | oxaluric acid | 456 |
1-Methylnicotinamide | 1-methylpyridin-1-ium-3-carboxamide | InChI=1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1 | LDHMAVIPBRSVRG-UHFFFAOYSA-O | C[N+]1=CC=CC(=C1)C(=O)N | 2004-09-16 | 1-methylnicotinamide|Trigonellinamide|N(1)-Methylnicotinamide|Trigonellamide|3106-60-3|N1-Methylnicotinamide|1-methylpyridin-1-ium-3-carboxamide|3-(Aminocarbonyl)-1-methylpyridinium|1-Methyl nicotinamide|3-carbamoyl-1-methylpyridinium|1-mna|N(sup 1)-Methylnicotinamide|Pyridinium, 3-carbamoyl-1-methyl-|Pyridinium, 3-(am... | N(1)-methylnicotinamide | 457 |
S-methylmethionine | (3-amino-3-carboxypropyl)-dimethylsulfanium | InChI=1S/C6H13NO2S/c1-10(2)4-3-5(7)6(8)9/h5H,3-4,7H2,1-2H3/p+1 | YDBYJHTYSHBBAU-UHFFFAOYSA-O | C[S+](C)CCC(C(=O)O)N | 2005-03-26 | S-methylmethionine|13065-25-3|(3-amino-3-carboxypropyl)-dimethylsulfanium|S**+-methylmethionine|2766-51-0|S-Methyl-DL-methioninsulfonium|SCHEMBL76428|DTXSID00859813|CHEBI:232419|butanoic acid, 2-amino-4-dimethylsulfonio-|NS00126846|(3-Amino-3-carboxypropyl)(dimethyl)sulfanium|Q1329492|(3-Amino-3-carboxypropyl)dimethyls... | Vitamin U | 458 |
Guaiacol | 2-methoxyphenol | InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3 | LHGVFZTZFXWLCP-UHFFFAOYSA-N | COC1=CC=CC=C1O | 2005-03-25 | guaiacol|2-Methoxyphenol|90-05-1|o-Methoxyphenol|2-Hydroxyanisole|Guaiastil|Pyroguaiac acid|o-Guaiacol|o-Hydroxyanisole|Phenol, 2-methoxy-|Pyrocatechol monomethyl ether|1-Hydroxy-2-methoxybenzene|Anastil|Guaicol|Phenol, o-methoxy-|Methylcatechol|Guaicolina|Guajol|Guasol|O-Methyl catechol|Catechol monomethyl ether|Creod... | Guaiacol | 460 |
Palmitoylcarnitine | 3-hexadecanoyloxy-4-(trimethylazaniumyl)butanoate | InChI=1S/C23H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h21H,5-20H2,1-4H3 | XOMRRQXKHMYMOC-UHFFFAOYSA-N | CCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C | 2005-06-23 | PALMITOYLCARNITINE|1935-18-8|O-palmitoylcarnitine|O-hexadecanoylcarnitine|Palmitylcarnitine|PALMITOYL-CARNITINE|3-hexadecanoyloxy-4-(trimethylazaniumyl)butanoate|CHEBI:73067|1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-[(1-oxohexadecyl)oxy]-, inner salt|(+/-)-palmitoyl carnitine|U8K6DKA8V2|3-(hexadecanoyloxy)-4-(trimeth... | Palmitoylcarnitine | 461 |
Hexadecanoylcarnitine | (3-carboxy-2-hexadecanoyloxypropyl)-trimethylazanium | InChI=1S/C23H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h21H,5-20H2,1-4H3/p+1 | XOMRRQXKHMYMOC-UHFFFAOYSA-O | CCCCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C | 2005-03-26 | DL-Palmitoyl Carnitine|palmitoyl carnitine|7085-35-0|hexadecanoylcarnitine|NSC628323|CHEMBL1256761|Palmitoyl-DL- carnitine chloride|BiomolKI_000057|BiomolKI2_000063|ACar 16:0|Lopac0_000948|CHEMBL1358827|SCHEMBL12648459|CHEBI:94442|DTXSID80862789|CAR 16:0|BDBM50436202|CCG-100661|NCGC00015815-03|NCGC00015815-04|NCGC00015... | Palmitoylcarnitine | 462 |
N2-Succinoylarginine | 2-(3-carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid | InChI=1S/C10H18N4O5/c11-10(12)13-5-1-2-6(9(18)19)14-7(15)3-4-8(16)17/h6H,1-5H2,(H,14,15)(H,16,17)(H,18,19)(H4,11,12,13) | UMOXFSXIFQOWTD-UHFFFAOYSA-N | C(CC(C(=O)O)NC(=O)CCC(=O)O)CN=C(N)N | 2005-06-23 | N2-Succinoylarginine|Glyzophrol|Mylerlan|Busulfan Wellcome|Wellcome, Busulfan|Busulfan Orphan Brand|Busulfan [INN:JAN]|Busulfan Wellcome Brand|Orphan Brand of Busulfan|Wellcome Brand of Busulfan|Busulfan (JP15/USP/INN)|Busulfan GlaxoSmithKline Brand|1,4-Di(methylsulfonoxy)butane|SCHEMBL12028772|Glaxo Wellcome Brand of ... | Busulfan | 463 |
Hippuric Acid | 2-benzamidoacetic acid | InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12) | QIAFMBKCNZACKA-UHFFFAOYSA-N | C1=CC=C(C=C1)C(=O)NCC(=O)O | 2004-09-16 | Hippuric acid|495-69-2|2-Benzamidoacetic acid|N-Benzoylglycine|Benzoylglycine|Glycine, N-benzoyl-|Benzamidoacetic acid|Benzoylaminoacetic acid|hippurate|Hippursaeure|Phenylcarbonylaminoacetic acid|Benzamidoessigsaeure|Benzoylaminoessigsaeure|N-Benzoyl-glycin|(benzoylamino)acetic acid|Acetic acid, (benzoylamino)-|Acido ... | hippuric acid | 464 |
2-Aminoadipic Acid | 2-aminohexanedioic acid | InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11) | OYIFNHCXNCRBQI-UHFFFAOYSA-N | C(CC(C(=O)O)N)CC(=O)O | 2005-03-25 | 2-Aminohexanedioic acid|542-32-5|DL-2-Aminoadipic acid|2-AMINOADIPIC ACID|aminoadipic acid|alpha-Aminoadipic acid|DL-alpha-Aminoadipic acid|2-Aminoadipate|Hexanedioic acid, 2-amino-|DL-2-Aminohexanedioic acid|2-amino-hexanedioic acid|H-DL-Aad-OH|AMINOADIPIC ACID, ALPHA|alpha-Aminoadipate|rac a-Aminoadipic Acid|.alpha.-... | 2-Aminoadipic Acid | 469 |
2,4-Diaminobutyric acid | 2,4-diaminobutanoic acid | InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8) | OGNSCSPNOLGXSM-UHFFFAOYSA-N | C(CN)C(C(=O)O)N | 2005-03-26 | 2,4-Diaminobutanoic acid|2,4-Diaminobutyric acid|305-62-4|Butanoic acid, 2,4-diamino-|DL-2,4-Diaminobutyric acid|2,4-Diamino-butyric acid|alpha,gamma-Diaminobutyric acid|2,4-diamino-butanoic acid|Butyric acid, 2,4-diamino-|CHEBI:64307|DL-2,4-Diamino-n-butyric acid|92V7KM11ZK|CHEMBL307931|(RS)-2,4-Diaminobutyric acid|69... | 2,4-diaminobutyric acid | 470 |
2-Keto-4-methylthiobutyric acid | 4-methylsulfanyl-2-oxobutanoic acid | InChI=1S/C5H8O3S/c1-9-3-2-4(6)5(7)8/h2-3H2,1H3,(H,7,8) | SXFSQZDSUWACKX-UHFFFAOYSA-N | CSCCC(=O)C(=O)O | 2004-09-16 | 4-Methylthio-2-oxobutanoic acid|583-92-6|4-(Methylsulfanyl)-2-oxobutanoic acid|2-keto-4-methylthiobutyric acid|alpha-Oxomethionine|alpha-Ketomethionine|4-(Methylthio)-2-oxobutanoic acid|2-oxo-4-methylthiobutanoate|4-methylthio-2-oxobutanoate|4-Methylmercapto-2-oxobutyrate|2-Oxo-4-thiomethylbutyric acid|alpha-Keto-gamma... | 2-keto-4-methylthiobutyric acid | 473 |
3-Hydroxy-3-methyl-5-phosphonooxypentanoic acid | 3-hydroxy-3-methyl-5-phosphonooxypentanoic acid | InChI=1S/C6H13O7P/c1-6(9,4-5(7)8)2-3-13-14(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H2,10,11,12) | OKZYCXHTTZZYSK-UHFFFAOYSA-N | CC(CCOP(=O)(O)O)(CC(=O)O)O | 2005-06-23 | Phosphomevalonic acid|1189-94-2|5-phosphomevalonic acid|3-hydroxy-3-methyl-5-phosphonooxypentanoic acid|Phosphomevalonate|MEVALONIC ACID-5-PHOSPHATE|SCHEMBL599363|DTXSID00868263|CHEBI:125405|NS00124092|3-Hydroxy-3-methyl-5-(phosphonooxy)pentanoic acid|Q952532|BRD-A47441220-001-01-0|Pentanoic acid, 3-hydroxy-3-methyl-5-... | phosphomevalonic acid | 476 |
Inositol pentakisphosphate | (2-hydroxy-3,4,5,6-tetraphosphonooxycyclohexyl) dihydrogen phosphate | InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22) | CTPQAXVNYGZUAJ-UHFFFAOYSA-N | C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O | 2004-09-16 | InsP5|Inositol pentakisphosphate|inositol pentaphosphate|25663-09-6|20298-95-7|myo-Inositol pentakisphosphate|Inositol pentis(dihydrogen phosphate)|myo-Inositol pentakis(dihydrogen phosphate)|FN9FAT8JSC|UNII-FN9FAT8JSC|SCHEMBL406796|DTXSID10864938|myo-Inositol 2,3,4,5,6-pentakisphosphate decasodium salt|MI44569|myo-Ino... | inositol pentaphosphate | 482 |
4-Aminoimidazole | 1H-imidazol-5-amine | InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6) | QRZMXADUXZADTF-UHFFFAOYSA-N | C1=C(NC=N1)N | 2004-09-16 | 4-aminoimidazole|1H-Imidazol-4-amine|4919-03-3|1H-imidazol-5-amine|5-Aminoimidazole|7854BCQ2PS|4-(or 5-)aminoimidazole|IMIDAZOLE, 4-AMINO-|CHEBI:16607|DTXSID00197702|MFCD00235200|3h-imidazol-4-amine|1,3-diazolium-4-aminide|UNII-7854BCQ2PS|DTXCID20120193|QRZMXADUXZADTF-UHFFFAOYSA-N|BCP05277|MFCD10697825|AKOS005259860|AK... | 4-aminoimidazole | 484 |
Choline sulfate | 2-(trimethylazaniumyl)ethyl sulfate | InChI=1S/C5H13NO4S/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3 | WXCQAWGXWVRCGP-UHFFFAOYSA-N | C[N+](C)(C)CCOS(=O)(=O)[O-] | 2004-09-16 | choline sulfate|4858-96-2|choline sulphate|Choline O-sulfate|2-(trimethylazaniumyl)ethyl sulfate|2-(trimethylammonio)ethyl sulfate|choline sulfate betaine|NSC-46242|9Q5XI11K27|UNII-9Q5XI11K27|CHEBI:16822|DTXSID70274271|Ethanaminium, N,N,N-trimethyl-2-(sulfooxy)-, inner salt|Choline-O-sulfate|Choline O Sulfate|O-Sulfate... | Choline | 485 |
Methylmalonic Acid | 2-methylpropanedioic acid | InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8) | ZIYVHBGGAOATLY-UHFFFAOYSA-N | CC(C(=O)O)C(=O)O | 2004-09-16 | Methylmalonic acid|516-05-2|2-Methylmalonic acid|2-Methylpropanedioic acid|Isosuccinic acid|methylmalonate|Propanedioic acid, methyl-|1,1-Ethanedicarboxylic acid|Malonic acid, methyl-|methylpropanedioic acid|METHYL MALONIC ACID|Isosuccinate|methyl-Malonate|CHEBI:30860|2-Methylmalonate|2-methyl-propanedioic acid|EINECS ... | Methylmalonic Acid | 487 |
Phosphonoacetaldehyde | 2-oxoethylphosphonic acid | InChI=1S/C2H5O4P/c3-1-2-7(4,5)6/h1H,2H2,(H2,4,5,6) | YEMKIGUKNDOZEG-UHFFFAOYSA-N | C(C=O)P(=O)(O)O | 2004-09-16 | phosphonoacetaldehyde|2-Oxoethylphosphonic acid|2-Phosphonoacetaldehyde|(2-oxoethyl)phosphonic acid|16051-76-6|acetylphosphonate|2-Oxoethylphosphonate|VPZ8FR5BMZ|CHEBI:18124|phosphonic acid, (2-oxoethyl)-|DTXSID60166898|P-(2-OXOETHYL)PHOSPHONIC ACID|PHOSPHONIC ACID, P-(2-OXOETHYL)-|UNII-VPZ8FR5BMZ|SCHEMBL261595|DTXCID2... | phosphonoacetaldehyde | 490 |
N1-Acetylspermidine | N-[3-(4-aminobutylamino)propyl]acetamide | InChI=1S/C9H21N3O/c1-9(13)12-8-4-7-11-6-3-2-5-10/h11H,2-8,10H2,1H3,(H,12,13) | MQTAVJHICJWXBR-UHFFFAOYSA-N | CC(=O)NCCCNCCCCN | 2004-09-16 | N1-Acetylspermidine|14278-49-0|N(1)-Acetylspermidine|N-(3-((4-Aminobutyl)amino)propyl)acetamide|1-N-Acetylspermidine|N-Acetylspermidine|N-[3-(4-aminobutylamino)propyl]acetamide|N-{3-[(4-aminobutyl)amino]propyl}acetamide|Acetamide, N-[3-[(4-aminobutyl)amino]propyl]-|CHEMBL176800|CHEBI:17927|an N-acetylspermidine|N-[3-[(... | N(1)-acetylspermidine | 496 |
Pyrrolidone carboxylic acid | 5-oxopyrrolidine-2-carboxylic acid | InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9) | ODHCTXKNWHHXJC-UHFFFAOYSA-N | C1CC(=O)NC1C(=O)O | 2004-09-16 | DL-Pyroglutamic acid|149-87-1|5-Oxopyrrolidine-2-carboxylic acid|2-Pyrrolidone-5-carboxylic acid|5-Oxo-DL-proline|5-OXOPROLINE|DL-Proline, 5-oxo-|DL-2-Pyrrolidone-5-carboxylic acid|dl-pyrrolidonecarboxylic acid|6VT1YZM21H|DL-Glutamic Acid Lactam|MFCD00064322|NSC-40887|D-(+)-Pyroglutamic Acid|DL-2-Pyrrolidinone-5-carbox... | Pyrrolidonecarboxylic Acid | 499 |
4-Guanidinobutyric acid | 4-(diaminomethylideneamino)butanoic acid | InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8) | TUHVEAJXIMEOSA-UHFFFAOYSA-N | C(CC(=O)O)CN=C(N)N | 2004-09-16 | 4-Guanidinobutyric acid|4-guanidinobutanoic acid|463-00-3|gamma-Guanidinobutyric acid|4-carbamimidamidobutanoic acid|gamma-guanidinobutyrate|4-(diaminomethylideneamino)butanoic acid|4-guanidinobutanoate|Butanoic acid,4-[(aminoiminomethyl)amino]-|4-(carbamimidamido)butanoic acid|UNII-15ADP48O8Q|NSC-521717|15ADP48O8Q|CHE... | gamma-guanidinobutyric acid | 500 |
2-Amino-5-(amino-dimethylamino-methylidene)amino-pentanoic acid | 2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoic acid | InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14) | YDGMGEXADBMOMJ-UHFFFAOYSA-N | CN(C)C(=NCCCC(C(=O)O)N)N | 2005-03-25 | n-dimethylarginine|2-amino-5-(amino-dimethylamino-methylidene)amino-pentanoic acid|850208-77-4|N,N-DIMETHYLARGININE|SCHEMBL12028770|DTXSID60860788|CHEBI:181449|YDGMGEXADBMOMJ-UHFFFAOYSA-N|N(G),N(G')-Dimethyl-L-arginine|2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoic acid|2aAminoa5a(N',N'adimethylcarbamimida... | N(G),N(G')-dimethylarginine | 501 |
N-Carbamoylputrescine | 4-aminobutylurea | InChI=1S/C5H13N3O/c6-3-1-2-4-8-5(7)9/h1-4,6H2,(H3,7,8,9) | YANFYYGANIYHGI-UHFFFAOYSA-N | C(CCNC(=O)N)CN | 2004-09-16 | N-carbamoylputrescine|6851-51-0|(4-aminobutyl)urea|4-aminobutylurea|1-(4-aminobutyl)urea|Urea, (4-aminobutyl)-|UNII-Q40BOH7F84|Urea, N-(4-aminobutyl)-|Q40BOH7F84|(4-aminobutyl)-Urea|CHEBI:17902|DTXSID10218639|N-Carbamylputrescine|N-(4-Aminobutyl)urea|1-Amino-4-ureidobutane|SCHEMBL1332569|DTXCID10141130|AKOS005067098|C0... | N-carbamoylputrescine | 502 |
Trimetaphosphoric acid | 2,4,6-trihydroxy-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide | InChI=1S/H3O9P3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h(H,1,2)(H,3,4)(H,5,6) | AZSFNUJOCKMOGB-UHFFFAOYSA-N | OP1(=O)OP(=O)(OP(=O)(O1)O)O | 2004-09-16 | trimetaphosphoric acid|cyclotriphosphoric acid|13566-25-1|cyclo-triphosphoric acid|Metaphosphoric acid (H3P3O9)|UNII-H6C6T4285H|1,3,5,2,4,6-trioxatriphosphinane-2,4,6-triol 2,4,6-trioxide|CHEBI:16517|H6C6T4285H|Metaphosphoric acid(H3P3O9), sodium salt (1:3)|DTXSID40159485|2,4,6-TRIHYDROXY-, 2,4,6-TRIOXIDE|2,4,6-trihydr... | trimetaphosphoric acid | 510 |
Thiamine Triphosphate | [2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-hydroxyphosphoryl] phosphono hydrogen phosphate | InChI=1S/C12H19N4O10P3S/c1-8-11(30-7-16(8)6-10-5-14-9(2)15-12(10)13)3-4-24-28(20,21)26-29(22,23)25-27(17,18)19/h5,7H,3-4,6H2,1-2H3,(H5-,13,14,15,17,18,19,20,21,22,23)/p+1 | IWLROWZYZPNOFC-UHFFFAOYSA-O | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O | 2005-06-23 | Thiamine triphosphate|thiamin triphosphate|thiamine(1+) triphosphate|3475-65-8|ThTP|CHEBI:9534|[2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate|THIAMINE TRIPHOSPHATE [MI]|(2-(3-((4-amino-2-methyl-pyrimidin-5-yl)methyl)-4-methyl-thiazol-3... | Thiamine Triphosphate | 511 |
Alpha-Methylisocitric Acid | 3-hydroxybutane-1,2,3-tricarboxylic acid | InChI=1S/C7H10O7/c1-7(14,6(12)13)3(5(10)11)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13) | HHKPKXCSHMJWCF-UHFFFAOYSA-N | CC(C(CC(=O)O)C(=O)O)(C(=O)O)O | 2005-03-25 | 3-hydroxybutane-1,2,3-tricarboxylic acid|threo-alpha-Methylisocitrate|alpha-Methylisocitrate|6061-95-6|3-Hydroxy-1,2,3-butanetricarboxylate|3-Carboxy-2,3-dideoxy-4-C-methylpentaric acid|DL-threo-alpha-Methylisocitrate|8518EC1Z2E|UNII-8518EC1Z2E|1,2,3-Butanetricarboxylic acid, 3-hydroxy-|d.l-methylisocitrate|methyl isoc... | threo-alpha-methylisocitrate | 513 |
2-Methylcitric acid | 2-hydroxybutane-1,2,3-tricarboxylic acid | InChI=1S/C7H10O7/c1-3(5(10)11)7(14,6(12)13)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13) | YNOXCRMFGMSKIJ-UHFFFAOYSA-N | CC(C(=O)O)C(CC(=O)O)(C(=O)O)O | 2004-09-16 | 2-Methylcitric acid|6061-96-7|2-hydroxybutane-1,2,3-tricarboxylic acid|methylcitric acid|2-Methylcitricacid|2-methylcitrate|2-hydroxy-1,2,3-butanetricarboxylic acid|CHEBI:30835|DTXSID30863685|1,2,3-Butanetricarboxylic acid, 2-hydroxy-|3-C-carboxy-2,4-dideoxy-2-methylpentaric acid|2-hydroxybutane-1,2,3-tricarboxylate|SC... | 2-methylcitric acid | 515 |
3-Hydroxy-5-[hydroxy(phosphonooxy)phosphoryl]oxy-3-methylpentanoic acid | 3-hydroxy-5-[hydroxy(phosphonooxy)phosphoryl]oxy-3-methylpentanoic acid | InChI=1S/C6H14O10P2/c1-6(9,4-5(7)8)2-3-15-18(13,14)16-17(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H,13,14)(H2,10,11,12) | SIGQQUBJQXSAMW-UHFFFAOYSA-N | CC(CCOP(=O)(O)OP(=O)(O)O)(CC(=O)O)O | 2005-06-23 | (RS)-5-diphosphomevalonate|1492-08-6|3-hydroxy-5-[hydroxy(phosphonooxy)phosphoryl]oxy-3-methylpentanoic acid|3-Hydroxy-5-((hydroxy(phosphonooxy)phosphoryl)oxy)-3-methylpentanoic acid|Mevalonic acid 5-diphosphate|4872-34-8|3-Hydroxy-5-{[hydroxy(phosphonooxy)phosphoryl]oxy}-3-methylpentanoic acid|SCHEMBL183248|GTPL3055|D... | 5-diphosphomevalonic acid | 516 |
Malic Acid | 2-hydroxybutanedioic acid | InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9) | BJEPYKJPYRNKOW-UHFFFAOYSA-N | C(C(C(=O)O)O)C(=O)O | 2004-09-16 | malic acid|DL-malic acid|6915-15-7|2-Hydroxybutanedioic acid|617-48-1|2-Hydroxysuccinic acid|malate|Butanedioic acid, hydroxy-|hydroxysuccinic acid|Kyselina jablecna|hydroxybutanedioic acid|Malic acid, DL-|Pomalus acid|DL-2-hydroxybutanedioic acid|Deoxytetraric acid|Hydroxybutandisaeure|Musashi-no-Ringosan|dl-Hydroxybu... | malic acid | 525 |
Propionaldehyde | propanal | InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3 | NBBJYMSMWIIQGU-UHFFFAOYSA-N | CCC=O | 2004-09-16 | Propionaldehyde|propanal|123-38-6|Propanaldehyde|Propaldehyde|Methylacetaldehyde|n-Propanal|Propylaldehyde|Propional|Propionic aldehyde|Propylic aldehyde|1-Propanal|Propyl aldehyde|Aldehyde propionique|n-Propionaldehyde|1-Propanone|Propanalaldehyde|Proprionaldehyde|FEMA No. 2923|FEMA Number 2923|Propionaldehyde (natura... | propionaldehyde | 527 |
Phosphoglycolate | 2-phosphonooxyacetic acid | InChI=1S/C2H5O6P/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H2,5,6,7) | ASCFNMCAHFUBCO-UHFFFAOYSA-N | C(C(=O)O)OP(=O)(O)O | 2004-09-16 | 2-Phosphoglycolic Acid|Phosphoglycolic acid|13147-57-4|(Phosphonooxy)acetic acid|phosphoglycolate|2-phosphonooxyacetic acid|acetic acid, (phosphonooxy)-|Glycophosphoric acid|Glycolic acid phosphate|2-(phosphonooxy)acetic acid|Glycolic acid, di-H phosphate|CHEBI:17150|H8593JOP13|Glycolic acid, dihydrogen phosphate|EINEC... | phosphoglycolate | 529 |
Hydrogen selenide | selane | InChI=1S/H2Se/h1H2 | SPVXKVOXSXTJOY-UHFFFAOYSA-N | [SeH2] | 2004-09-16 | Hydrogen selenide|Dihydrogen selenide|7783-07-5|V91P54KPAM|H2Se|dihydridoselenium|[SeH2]|DTXSID20872822|C01528|Q409314 | hydrogen selenide | 533 |
1-Aminocyclopropane-1-carboxylic acid | 1-aminocyclopropane-1-carboxylic acid | InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7) | PAJPWUMXBYXFCZ-UHFFFAOYSA-N | C1CC1(C(=O)O)N | 2004-09-16 | 1-Aminocyclopropanecarboxylic acid|22059-21-8|1-Aminocyclopropane-1-carboxylic acid|acpc|Cyclopropanecarboxylic acid, 1-amino-|1-Amino-1-cyclopropanecarboxylic acid|1-Amino-1-carboxycyclopropane|MFCD00009944|ACC|alpha-Aminocyclopropanecarboxylic acid|alpha-Aminocyclopropane carboxylic acid|1-Aminocyclopropane carboxyli... | 1-aminocyclopropane-1-carboxylic acid | 535 |
4-Nitrobenzaldehyde | 4-nitrobenzaldehyde | InChI=1S/C7H5NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H | BXRFQSNOROATLV-UHFFFAOYSA-N | C1=CC(=CC=C1C=O)[N+](=O)[O-] | 2005-03-26 | 4-nitrobenzaldehyde|555-16-8|p-Nitrobenzaldehyde|Benzaldehyde, 4-nitro-|p-Formylnitrobenzene|Benzaldehyde, p-nitro-|4-Nitro-benzaldehyde|4-FORMYLNITROBENZENE|para-nitrobenzaldehyde|MFCD00007346|CCRIS 1675|NSC 6103|EINECS 209-084-5|p-nitro benzaldehyde|NX859P8MB0|DTXSID5022061|CHEBI:66926|AI3-52475|NSC-6103|UNII-NX859P8... | 4-nitrobenzaldehyde | 541 |
Muconolactone | 2-(5-oxo-2H-furan-2-yl)acetic acid | InChI=1S/C6H6O4/c7-5(8)3-4-1-2-6(9)10-4/h1-2,4H,3H2,(H,7,8) | HPEKPJGPWNSAAV-UHFFFAOYSA-N | C1=CC(=O)OC1CC(=O)O | 2004-09-16 | Muconolactone|6666-46-2|2-(5-oxo-2H-furan-2-yl)acetic acid|2,5-dihydro-5-oxofuran-2-acetate|2-Oxo-2,5-dihydrofuran-5-acetate|5-Oxo-2,5-dihydrofuran-2-acetate|5-oxo-2,5-dihydro-2-furylacetic acid|4-Carboxymethyl-4-hydroxyisocrotonolactone|2-Furanacetic acid, 2,5-dihydro-5-oxo-|SCHEMBL2935675|CHEBI:18080|4-carboxymethylb... | muconolactone | 542 |
Arsenite ion | arsorite | InChI=1S/AsO3/c2-1(3)4/q-3 | OWTFKEBRIAXSMO-UHFFFAOYSA-N | [O-][As]([O-])[O-] | 2004-09-16 | arsorite|15502-74-6|Arsenite ion|Trisoxylatoarsine|arsenite(3-)|ARSENITE ANION|ORTHO-ARSENITE|N5509X556J|Arsenite ions|arsenite anions|UNII-N5509X556J|ortho-arsenite ion|AsO3(3-)|DTXSID0074007|CHEBI:22633|CHEBI:29866|OWTFKEBRIAXSMO-UHFFFAOYSA-N|[AsO3](3-)|NS00134109|C06697|Q26841209 | arsenite | 544 |
Arsenous acid | arsorous acid | InChI=1S/AsH3O3/c2-1(3)4/h2-4H | GCPXMJHSNVMWNM-UHFFFAOYSA-N | O[As](O)O | 2004-09-16 | Arsenous acid|arsorous acid|13464-58-9|TRIHYDROXYARSENITE(III)|arsenic trihydroxide|H3AsO3|arsenous trioxide|As(OH)3|diarsonic trioxide|trihydroxidoarsenic|trioxoarsenic acid|Arsenious acid (H3AsO3)|UNII-935XD1L5K2|CHEBI:49900|935XD1L5K2|arsenic (III) trioxide|[As(OH)3]|trihydrogen trioxoarsenate(3-)|DTXSID7074828|ARSE... | arsenous acid | 545 |
Phosphonoacetic Acid | 2-phosphonoacetic acid | InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7) | XUYJLQHKOGNDPB-UHFFFAOYSA-N | C(C(=O)O)P(=O)(O)O | 2004-09-16 | Phosphonoacetic acid|4408-78-0|2-phosphonoacetic acid|Fosfonet|phosphonoacetate|Acetic acid, phosphono-|Phosphonacetic acid|Carboxymethanephosphonic acid|Fosfonet sodium|PHOSPHONOACETICACID|CHEBI:15732|Fosfonoacetic acid|EINECS 224-558-1|NSC 18205|NSC-18205|Disodium phosphonoacetate|BRN 1764355|DTXSID2045107|Lopac-P-69... | Phosphonoacetic Acid | 546 |
3,4-Dihydroxyphenylacetic Acid | 2-(3,4-dihydroxyphenyl)acetic acid | InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12) | CFFZDZCDUFSOFZ-UHFFFAOYSA-N | C1=CC(=C(C=C1CC(=O)O)O)O | 2004-09-16 | 3,4-Dihydroxyphenylacetic acid|102-32-9|Dopac|2-(3,4-DIHYDROXYPHENYL)ACETIC ACID|Homoprotocatechuic acid|Dopacetic acid|Benzeneacetic acid, 3,4-dihydroxy-|3,4-Dihydroxybenzeneacetic acid|Dihydroxyphenylacetic acid|(3,4-DIHYDROXYPHENYL)ACETIC ACID|3,4-dihydroxyphenylacetate|3,4-Dihydroxy-phenylacetic acid|Acetic acid, (... | 3,4-Dihydroxyphenylacetic Acid | 547 |
5-(Hydroxymethylidene)-2-oxohept-3-enedioic acid | 5-(hydroxymethylidene)-2-oxohept-3-enedioic acid | InChI=1S/C8H8O6/c9-4-5(3-7(11)12)1-2-6(10)8(13)14/h1-2,4,9H,3H2,(H,11,12)(H,13,14) | JCYNPXMAUUAOMA-UHFFFAOYSA-N | C(C(=CO)C=CC(=O)C(=O)O)C(=O)O | 2005-03-26 | 2461-62-3|5-(hydroxymethylidene)-2-oxohept-3-enedioic acid|2-Hydroxy-5-formyl-2,4-heptadienedioic acid|DTXSID801252143|Q27102233 | 2-hydroxy-5-carboxymethylmuconate semialdehyde | 548 |
1-Methylpyrrolidine-2-carboxylic acid | 1-methylpyrrolidine-2-carboxylic acid | InChI=1S/C6H11NO2/c1-7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9) | CWLQUGTUXBXTLF-UHFFFAOYSA-N | CN1CCCC1C(=O)O | 2005-03-26 | 1-methylpyrrolidine-2-carboxylic acid|68078-09-1|1-Methyl-pyrrolidine-2-carboxylic acid|1-Methylproline|1-Methyl-DL-proline|proline, 1-methyl-|N-Me-Pro-OH|N-methylproline|DTXSID10274275|methylproline|METHYL-D-PROLINE|D-Proline, 1-methyl-|L-Proline, 1-methyl-|MFCD00011565|1-Methylproline #|MFCD01605583|n-methyl-(l)-prol... | N-methylproline | 557 |
alpha-keto-delta-Guanidinovaleric acid | 5-(diaminomethylideneamino)-2-oxopentanoic acid | InChI=1S/C6H11N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h1-3H2,(H,11,12)(H4,7,8,9) | ARBHXJXXVVHMET-UHFFFAOYSA-N | C(CC(=O)C(=O)O)CN=C(N)N | 2004-09-16 | 2-oxoarginine|3715-10-4|5-carbamimidamido-2-oxopentanoic acid|alpha-Keto-delta-guanidinovaleric acid|2-Oxo-5-guanidinovaleric acid|5-guanidino-2-oxopentanoic acid|5-(diaminomethylideneamino)-2-oxopentanoic acid|5-(DIAMINOMETHYLIDENEAMINO)-2-OXO-PENTANOIC ACID|DTXSID00190632|5-[(diaminomethylidene)amino]-2-oxopentanoic ... | alpha-keto-delta-guanidinovaleric acid | 558 |
5-(Methylthio)-2,3-dioxopentyl phosphate | (5-methylsulfanyl-2,3-dioxopentyl) dihydrogen phosphate | InChI=1S/C6H11O6PS/c1-14-3-2-5(7)6(8)4-12-13(9,10)11/h2-4H2,1H3,(H2,9,10,11) | HKEAOVFNWRDVAJ-UHFFFAOYSA-N | CSCCC(=O)C(=O)COP(=O)(O)O | 2005-06-23 | 1-Phospho-2,3-diketo-5-S-methylthiopentane|5-(Methylthio)-2,3-dioxopentyl phosphate|5-(methylsulfanyl)-2,3-dioxopentyl phosphate|1-Pdmsp|115974-73-7|2,3-Diketo-5-methylthiopentyl-1-phosphate|(5-methylsulfanyl-2,3-dioxopentyl) dihydrogen phosphate|2,3-diketo-5-methylthio-1-phosphopentane|5-methylthio-1-(phosphonooxy)pen... | 1-phospho-2,3-diketo-5-S-methylthiopentane | 561 |
3-(Methylthio)propionic acid | 3-methylsulfanylpropanoic acid | InChI=1S/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6) | CAOMCZAIALVUPA-UHFFFAOYSA-N | CSCCC(=O)O | 2005-03-26 | 3-(Methylthio)propionic acid|646-01-5|3-methylthiopropionate|3-methylthiopropionic acid|3-(Methylthio)propanoic acid|Propanoic acid, 3-(methylthio)-|4-Thiapentanoic acid|3-(Methylsulfanyl)propanoic acid|3-methylsulfanylpropanoic acid|3-methylthiopropanoic acid|3-methylsulfanylpropionic acid|CHEBI:1438|F523ALI47D|Propan... | 3-methylthiopropionate | 563 |
Aminocaproic Acid | 6-aminohexanoic acid | InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9) | SLXKOJJOQWFEFD-UHFFFAOYSA-N | C(CCC(=O)O)CCN | 2004-09-16 | 6-aminohexanoic acid|6-Aminocaproic acid|aminocaproic acid|60-32-2|amicar|Hexanoic acid, 6-amino-|Epsikapron|Epsilcapramin|Capramol|Caprolisin|EACA|Epsicapron|Respramin|Amikar|Caprocid|Epsamon|EPSILON-AMINOCAPROIC ACID|Acepramin|Acepramine|Afibrin|Hemocaprol|Hemopar|Ipsilon|Hepin|Aminokapron|Caplamin|Capracid|Atsemin|E... | Aminocaproic Acid | 564 |
Dibenzofuran | dibenzofuran | InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H | TXCDCPKCNAJMEE-UHFFFAOYSA-N | C1=CC=C2C(=C1)C3=CC=CC=C3O2 | 2004-09-16 | dibenzofuran|Dibenzo[b,d]furan|132-64-9|diphenylene oxide|2,2'-Biphenylene oxide|2,2'-Biphenylylene oxide|Dibenzo(b,d)furan|Dibenzofurans|Dibenzol(b,d)furan|dibenzofurane|(1,1'-Biphenyl)-2,2'-diyl oxide|[1,1'-Biphenyl]-2,2'-diyl oxide|CCRIS 1436|HSDB 2163|NSC 1245|EINECS 205-071-3|UNII-8U54U639VI|DTXSID2021993|CHEBI:28... | dibenzofuran | 568 |
3-(2-Hydroxyphenyl)catechol | 3-(2-hydroxyphenyl)benzene-1,2-diol | InChI=1S/C12H10O3/c13-10-6-2-1-4-8(10)9-5-3-7-11(14)12(9)15/h1-7,13-15H | USBNIYMZDQVDSO-UHFFFAOYSA-N | C1=CC=C(C(=C1)C2=C(C(=CC=C2)O)O)O | 2004-09-16 | 2,2',3-trihydroxybiphenyl|3-(2-Hydroxyphenyl)catechol|91368-55-7|biphenyl-2,2',3-triol|3-(2-hydroxyphenyl)benzene-1,2-diol|2,2',3-Biphenyltriol|3-Hpcc|[1,1'-biphenyl]-2,2',3-triol|(1,1'-Biphenyl)-2,2',3-triol|CHEBI:28517|DTXSID70238530|WBP|SCHEMBL79393|DTXCID20161021|NS00007513|C03569|Q27103751 | 3-(2-hydroxyphenyl)catechol | 569 |
2-Hydroxy-6-oxo-6-phenyl-2,4-hexadienoic acid | 6-hydroxy-2-oxo-6-phenylhexa-3,5-dienoic acid | InChI=1S/C12H10O4/c13-10(9-5-2-1-3-6-9)7-4-8-11(14)12(15)16/h1-8,13H,(H,15,16) | YOVXRIACERVBAG-UHFFFAOYSA-N | C1=CC=C(C=C1)C(=CC=CC(=O)C(=O)O)O | 2005-06-23 | 2-Hydroxy-6-oxo-6-phenyl-2,4-hexadienoic acid|2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid|50480-67-6|6-hydroxy-2-oxo-6-phenylhexa-3,5-dienoic acid|(2E,4E)-2-Hydroxy-6-oxo-6-phenyl-2,4-hexadienoic acid|DTXSID801253989|PD004894|PD036575|PD059088|DB-228119|NS00071712|NS00073247|Q27097151|Q27102645 | 2-hydroxy-6-oxo-6-phenyl-2,4-hexadienoic acid | 570 |
Fosmidomycin | 3-[formyl(hydroxy)amino]propylphosphonic acid | InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10) | GJXWDTUCERCKIX-UHFFFAOYSA-N | C(CN(C=O)O)CP(=O)(O)O | 2005-06-23 | fosmidomycin|66508-53-0|Fosmidomycina|Fosmidomycine|Fosmidomycinum|3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID|Fosmidomycin [INN]|{3-[formyl(hydroxy)amino]propyl}phosphonic acid|Fosmidomycine [INN-French]|Fosmidomycinum [INN-Latin]|Fosmidomycina [INN-Spanish]|Fosmidomicina|3-(N-hydroxyformamido)propylphosphonic acid|... | fosmidomycin | 572 |
1-O-alpha-2-Acetamido-2-deoxygalactopyranosyl-inositol | N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(2,3,4,5,6-pentahydroxycyclohexyl)oxyoxan-3-yl]acetamide | InChI=1S/C14H25NO11/c1-3(17)15-5-7(19)6(18)4(2-16)25-14(5)26-13-11(23)9(21)8(20)10(22)12(13)24/h4-14,16,18-24H,2H2,1H3,(H,15,17) | MRKTUVZZZRUSQR-UHFFFAOYSA-N | CC(=O)NC1C(C(C(OC1OC2C(C(C(C(C2O)O)O)O)O)CO)O)O | 2005-06-23 | 1-Adgmi|91811-18-6|1-O-alpha-2-Acetamido-2-deoxygalactopyranosyl-inositol|1-O-alpha-2-Acetamido-2-deoxygalactopyranosyl-myo-inositol|myo-Inositol, 1-O-(2-(acetylamino)-2-deoxy-alpha-D-galactopyranosyl)-, (S)-|DTXSID80919505|2,3,4,5,6-Pentahydroxycyclohexyl 2-deoxy-2-[(1-hydroxyethylidene)amino]hexopyranoside | 1-O-alpha-2-acetamido-2-deoxygalactopyranosyl-inositol | 579 |
Creatine | 2-[carbamimidoyl(methyl)amino]acetic acid | InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9) | CVSVTCORWBXHQV-UHFFFAOYSA-N | CN(CC(=O)O)C(=N)N | 2004-09-16 | creatine|57-00-1|Creatin|Kreatin|N-amidinosarcosine|Krebiozon|N-methyl-N-guanylglycine|2-(1-Methylguanidino)acetic acid|methylglycocyamine|Glycine, N-(aminoiminomethyl)-N-methyl-|Creatine, hydrate|Pyrolysate|Creatine, anhydrous|(alpha-Methylguanido)acetic acid|Cosmocair C 100|N-carbamimidoyl-N-methylglycine|2-(1-methyl... | Creatine | 586 |
creatinine | 2-amino-3-methyl-4H-imidazol-5-one | InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8) | DDRJAANPRJIHGJ-UHFFFAOYSA-N | CN1CC(=O)N=C1N | 2004-09-16 | creatinine|60-27-5|AYI8EX34EU|2-Imino-1-methylimidazolidin-4-one|1-Methylglycocyamidine|1-Methylhydantoin-2-imide|Kreatinin|Creatinine,heated|Kreatininum|2-amino-1-methyl-1,5-dihydro-4H-imidazol-4-one|2-amino-3-methyl-4H-imidazol-5-one|creatinina|2-Imino-N-methylhydantoin|NSC-13123|2-Amino-1-methyl-2-imidazolin-4-one|C... | Creatinine | 588 |
DL-Cystine | 2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid | 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) | LEVWYRKDKASIDU-UHFFFAOYSA-N | C(C(C(=O)O)N)SSCC(C(=O)O)N | 2004-09-16 | DL-CYSTINE|923-32-0|cystine|3,3'-disulfanediylbis(2-aminopropanoic acid)|Dicysteine|Cystin|2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid|Cystine acid|Cysteine disulfide|MFCD00084652|NSC13203|(-)-Cystine|.beta.,.beta.'-Dithiodialanine|CHEBI:17376|(H-Cys-OH)|(+/-)-3,3'-Dithiobis(2-aminopropionicacid)|Bis(.... | Cystine | 595 |
Cytosar | 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one | InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16) | UHDGCWIWMRVCDJ-UHFFFAOYSA-N | C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O | 2005-03-25 | Cytosar|478511-21-6|[5',5''-2H2]cytidine|4-amino-1-pentofuranosylpyrimidin-2(1H)-one|.beta.-Arabinosylcytosine|.beta.-Cytosine arabinoside|.beta.-D-Arabinosylcytosine|Cytosine-.beta.-arabinoside|Arabinofuranosylcytosine|Cytarabin|1.beta.-D-Arabinosylcytosine|Alexan|MLS003389283|688007-26-3|Cytosine, .beta.-D-arabinosid... | Cytarabine | 596 |
Cytosine | 6-amino-1H-pyrimidin-2-one | InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8) | OPTASPLRGRRNAP-UHFFFAOYSA-N | C1=C(NC(=O)N=C1)N | 2004-09-16 | cytosine|71-30-7|4-Amino-2-hydroxypyrimidine|4-aminopyrimidin-2(1H)-one|Cytosinimine|6-Aminopyrimidin-2(1h)-One|2(1H)-Pyrimidinone, 4-amino-|4-Amino-2(1H)-pyrimidinone|Cytosin|6-amino-1H-pyrimidin-2-one|4-aminopyrimidin-2-ol|Zytosin|MFCD00006034|4-amino-2-oxo-1,2-dihydropyrimidine|Cyt|2(1H)-pyrimidinone, 6-amino-|AI3-5... | Cytosine | 597 |
2-Mercaptoethanesulfonic acid | 2-sulfanylethanesulfonic acid | InChI=1S/C2H6O3S2/c3-7(4,5)2-1-6/h6H,1-2H2,(H,3,4,5) | ZNEWHQLOPFWXOF-UHFFFAOYSA-N | C(CS(=O)(=O)O)S | 2004-09-16 | 2-Mercaptoethanesulfonic acid|coenzyme M|3375-50-6|2-sulfanylethanesulfonic acid|2-Mercaptoethanesulphonic acid|reduced coenzyme M|Mercaptoethanesulfonic acid|HS-CoM|beta-Mercaptoethanesulfonic acid|2-mercaptoethanesulfonate|Ethanesulfonic acid, 2-mercapto-|2-sulfanylethane-1-sulfonic acid|MESNA FREE ACID|2-sulfanyleth... | Mesna | 598 |
2-Hydroxy-4-oxopentanedioic acid | 2-hydroxy-4-oxopentanedioic acid | InChI=1S/C5H6O6/c6-2(4(8)9)1-3(7)5(10)11/h2,6H,1H2,(H,8,9)(H,10,11) | WXSKVKPSMAHCSG-UHFFFAOYSA-N | C(C(C(=O)O)O)C(=O)C(=O)O | 2004-09-16 | 2-Hydroxy-4-oxopentanedioic acid|1187-99-1|4-Hydroxy-2-oxoglutaric acid|Pentanedioic acid,2-hydroxy-4-oxo-|2-keto-4-hydroxyglutarate|DL-4-Hydroxy-2-ketoglutarate Dilithium Salt|DL-4-HYDROXY-2-KETOGLUTARATE|Pentanedioic acid, 2-hydroxy-4-oxo-|SCHEMBL126063|4-hydroxy-2-ketoglutaric acid|CHEBI:30923|DTXSID60862580|WXSKVKP... | 2-keto-4-hydroxyglutarate | 599 |
DL-Alanyl-DL-alanine | 2-(2-aminopropanoylamino)propanoic acid | InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11) | DEFJQIDDEAULHB-UHFFFAOYSA-N | CC(C(=O)NC(C)C(=O)O)N | 2005-03-26 | DL-Alanyl-DL-alanine|2867-20-1|2-(2-aminopropanamido)propanoic acid|Alanylalanine|DL-Ala-DL-Ala|2-(2-aminopropanoylamino)propanoic acid|N-DL-Alanyl-DL-alanine|Alanine, alanyl-|DL-Alanine, N-DL-alanyl-|CHEMBL52461|L-Alanine, N-L-alanyl-|2392-61-2|Di-L-Alanine|.alpha.-Alanylalanine|2-[(2-ammoniopropanoyl)amino]propanoate... | alanylalanine | 601 |
DL-alanine | 2-aminopropanoic acid | InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6) | QNAYBMKLOCPYGJ-UHFFFAOYSA-N | CC(C(=O)O)N | 2004-09-16 | DL-ALANINE|302-72-7|alanine|2-Aminopropanoic acid|Alanine, DL-|DL-2-Aminopropionic acid|DL-alpha-Alanine|D,L-Alanine|(R,S)-Alanine|DL-2-Aminopropanoic acid|alanina|(+-)-Alanine|MFCD00064408|(RS)-2-Aminopropionsaeure|DL-alpha-Aminopropionic acid|NSC 7602|(+-)-2-Aminopropionic acid|alanin|AI3-08908|EINECS 206-126-4|CCRIS... | Alanine | 602 |
Adderall | 2,3,4,5-tetrahydroxyhexanedioic acid | InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14) | DSLZVSRJTYRBFB-UHFFFAOYSA-N | C(C(C(C(=O)O)O)O)(C(C(=O)O)O)O | 2005-03-26 | Obetrol|Schleimsaure|Adderall|Galactaric-acid-|Tetrahydroxyadipic acid|Galactaric acid, D-|NSC8127|80876-58-0|Galactaric acid; Galactosaccharic acid; Saccharolactic acid|MFCD09752094|NCGC00096080-01|Adderall (TN)|d-Galactaric acid #|Spectrum_000129|SpecPlus_000412|WLN: QVYQYQYQYQVQ|Spectrum2_001454|Spectrum4_001910|Spe... | Glucaric Acid | 607 |
Gulono-1,4-lactone | 5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-one | InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2 | SXZYCXMUPBBULW-UHFFFAOYSA-N | C(C(C1C(C(C(=O)O1)O)O)O)O | 2005-03-26 | d-talono-1,4-lactone|5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-one|23666-11-7|D-Allonic acid gamma-lactone|10238-03-6|.gamma.-D-Galactonolactone|Gulono-1,4-lactone|.gamma.-Lactone of mannonic acid|D-Mannonic acid, .gamma.-lactone|D-mannonic acid-1,4-lactone|1,4-D-Gulonolactone|D-Allono-1,4-lactone|D-Talonic Acid ?-L... | glucono-1,4-lactone | 608 |
DL-Glutamic acid | 2-aminopentanedioic acid | InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10) | WHUUTDBJXJRKMK-UHFFFAOYSA-N | C(CC(=O)O)C(C(=O)O)N | 2004-09-16 | DL-Glutamic acid|617-65-2|2-aminopentanedioic acid|Glutamic acid, DL-|Glutamic acid DL-form|Glutaminsaeure|H-DL-Glu-OH|NSC 9967|glutamate|H-DL-Glu-OH.H2O|NSC 206301|D-Glutamicacid|EINECS 210-522-2|MFCD00063113|BRN 1723799|61LJO5I15S|NSC-9967|2-Aminoglutaric acid|.alpha.-Aminoglutaric acid|L-Glutamic-2-13C Acid|C5H9NO4|... | Glutamic Acid | 611 |
Lactic Acid | 2-hydroxypropanoic acid | InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6) | JVTAAEKCZFNVCJ-UHFFFAOYSA-N | CC(C(=O)O)O | 2004-09-16 | lactic acid|2-hydroxypropanoic acid|DL-Lactic acid|50-21-5|2-hydroxypropionic acid|lactate|Milk acid|Tonsillosan|Racemic lactic acid|Ordinary lactic acid|Ethylidenelactic acid|Lactovagan|Acidum lacticum|Milchsaeure|Lactic acid, dl-|Kyselina mlecna|Lacticum acidum|Propanoic acid, 2-hydroxy-|DL-Milchsaeure|598-82-3|Lacti... | Lactic Acid | 612 |
Coenzyme A, S-(hydrogen methylpropanedioate) | 3-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2-methyl-3-oxopropanoic acid | InChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42) | MZFOKIKEPGUZEN-UHFFFAOYSA-N | CC(C(=O)O)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O | 2005-06-23 | 10251-08-8|methylmalonyl-coenzyme A|Coenzyme A, S-(hydrogen methylpropanedioate)|SCHEMBL12934617|DTXSID80869435|Methylmalonyl CoA; (Acyl-CoA); [M+H]+;|NS00123650 | methylmalonyl-coenzyme A | 613 |
proline dl-form | pyrrolidine-2-carboxylic acid | InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8) | ONIBWKKTOPOVIA-UHFFFAOYSA-N | C1CC(NC1)C(=O)O | 2004-09-16 | DL-Proline|609-36-9|pyrrolidine-2-carboxylic acid|H-DL-Pro-OH|Proline, DL-|Proline DL-form|D-Pyrrolidine-2-carboxylic acid|MFCD00005250|2-Pyrrolidine carboxylic acid|Prolin|Hpro|UNII-DCS9E77JPQ|DCS9E77JPQ|(+/-)-Pyrrolidine-2-carboxylic acid|CCRIS 8602|25191-13-3|(+/-)-proline|NSC97923|EINECS 210-189-3|NSC 97923|NSC-979... | polyproline | 614 |
(2,3,4,5,7-Pentahydroxy-6-oxoheptyl) dihydrogen phosphate | (2,3,4,5,7-pentahydroxy-6-oxoheptyl) dihydrogen phosphate | InChI=1S/C7H15O10P/c8-1-3(9)5(11)7(13)6(12)4(10)2-17-18(14,15)16/h4-8,10-13H,1-2H2,(H2,14,15,16) | JDTUMPKOJBQPKX-UHFFFAOYSA-N | C(C(C(C(C(C(=O)CO)O)O)O)O)OP(=O)(O)O | 2005-06-23 | heptulose-7-phosphate|(2,3,4,5,7-pentahydroxy-6-oxoheptyl) dihydrogen phosphate|7-o-phosphonohept-2-ulose|DTXSID50863006|PD193138 | sedoheptulose 7-phosphate | 616 |
2-Amino-1-hydroxyoctadecan-3-one | 2-amino-1-hydroxyoctadecan-3-one | InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17,20H,2-16,19H2,1H3 | KBUNOSOGGAARKZ-UHFFFAOYSA-N | CCCCCCCCCCCCCCCC(=O)C(CO)N | 2005-06-23 | 2-amino-1-hydroxyoctadecan-3-one|16105-69-4|1-Hydroxy-2-amino-3-oxo-octadecane|Ketodihydrosphingosine|CHEBI:46966|2-amino-1-hydroxy-3-octadecanone|3-Octadecanone, 2-amino-1-hydroxy-|2-AMINO-1-HYDROXY-OCTADECAN-3-ONE|D,L-3-Dehydrosphinganin|3-keto-dihydrosphingosine|SCHEMBL678575|DTXSID80864662|2-amino-1-hydroxyoctadeca... | ketodihydrosphingosine | 631 |
2,3,4,5-Tetrahydro-2,6-pyridinedicarboxylic acid | 2,3,4,5-tetrahydropyridine-2,6-dicarboxylic acid | InChI=1S/C7H9NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h4H,1-3H2,(H,9,10)(H,11,12) | CXMBCXQHOXUCEO-UHFFFAOYSA-N | C1CC(N=C(C1)C(=O)O)C(=O)O | 2004-09-16 | 2353-17-5|2,3,4,5-tetrahydropyridine-2,6-dicarboxylic acid|2,3,4,5-tetrahydrodipicolinic acid|THDPA|2,6-Pyridinedicarboxylic acid, 2,3,4,5-tetrahydro-|2,3,4,5-Tetrahydro-2,6-dipicolinate|2,3,4,5-Tetrahydro-2,6-pyridinedicarboxylic acid|CHEBI:32976|2,6-Pyridinedicarboxylicacid, 2,3,4,5-tetrahydro-|SCHEMBL346633|DTXSID70... | 2,3,4,5-tetrahydro-2,6-pyridinedicarboxylic acid | 632 |
Adenine deoxyribonucleoside | 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol | InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13) | OLXZPDWKRNYJJZ-UHFFFAOYSA-N | C1C(C(OC1N2C=NC3=C(N=CN=C32)N)CO)O | 2005-03-26 | Desoxyadenosine|CHEMBL416340|NSC141848|NSC143510|9H-Purin-6-amine, 9-(2-deoxy-.beta.-D-ribofuranosyl)-|1-(2'-Deoxy-beta-threopentofuranosyl)adenine|9-(2-deoxypentofuranosyl)-9H-purin-6-amine|Adenine deoxyribonucleoside|.beta.-D-erythro-Pentofuranoside, adenine-9 2-deoxy-|5-(6-amino-9H-purin-9-yl)-2-(hydroxymethyl)oxola... | 1-(2'-deoxy-beta-threopentofuranosyl)adenine | 636 |
Cytosine deoxyribonucleoside | 4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one | InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15) | CKTSBUTUHBMZGZ-UHFFFAOYSA-N | C1C(C(OC1N2C=CC(=NC2=O)N)CO)O | 2005-03-25 | Cytosine deoxyribonucleoside|2'-Deoxy-a-cytidine|4-amino-1-(2-deoxypentofuranosyl)pyrimidin-2(1H)-one|4-amino-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2(1H)-one|Desoxycytidine|2'-DEOXY-L-CYTIDINE|Cytosine deoxy nucleoside hydrochloride|4449-40-5|3h-deoxycytidine|4-amino-1-(4-hydroxy-5-(hydroxymethyl... | Deoxycytidine | 637 |
dl-Desthiobiotin | 6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoic acid | InChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15) | AUTOLBMXDDTRRT-UHFFFAOYSA-N | CC1C(NC(=O)N1)CCCCCC(=O)O | 2004-09-16 | dl-Desthiobiotin|Desthiobiotin|15720-25-9|6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoic acid|dl-Dithiobiotin|dl-Dethiobiotin|636-20-4|rac-Desthio Biotin|4-Imidazolidinehexanoic acid, dl-5-methyl-2-oxo-|NSC 3085|(.+/-.)-Dethiobiotin|X 21|NSC-3085|6-(5-methyl-2-oxo-imidazolidin-4-yl)hexanoic acid|5-Methyl-2-oxo-4-imidazoli... | desthiobiotin | 643 |
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