Dataset Viewer
CID
int64 1
171M
| Title
stringlengths 2
898
| MolecularFormula
stringlengths 1
40
| IUPACName
stringlengths 3
2.71k
⌀ | InChI
stringlengths 10
3.8k
| SMILES
stringlengths 1
1.71k
| Synonyms
stringlengths 2
228k
|
|---|---|---|---|---|---|---|
1 | Acetyl-DL-carnitine | C9H17NO4 | 3-acetyloxy-4-(trimethylazaniumyl)butanoate | InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3 | CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C | ['Acetyl-DL-carnitine', 'acetylcarnitine', 'DL-Acetylcarnitine', 'DL-O-Acetylcarnitine', '3-acetyloxy-4-(trimethylazaniumyl)butanoate', 'Acetyl carnitine', '3-(acetyloxy)-4-(trimethylazaniumyl)butanoate', '1-Propanaminium, 2-(acetyloxy)-3-carboxy-N,N,N-trimethyl-, inner salt', 'ACETYLCARNITINE, DL-', 'ACETYLCARNITINE DL-FORM', 'Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, hydroxide, inner salt, acetate, DL-', 'ACETYLCARNITINE, (+/-)-', 'ACETYLCARNITINE RACEMATE [MI]', '3-(acetyloxy)-4-(trimethylammonio)butanoate', '1-Propanaminium, 2-(acetoxy)-3-carboxy-N,N,N-trimethyl-, hydroxide, inner salt, (+-)-', '(3-CARBOXY-2-HYDROXYPROPYL)TRIMETHYLAMMONIUM HYDROXIDE INNER SALT ACETATE', 'AMMONIUM, (3-CARBOXY-2-HYDROXYPROPYL)TRIMETHYL-, HYDROXIDE, INNER SALT, ACETATE', '(+/-)-acetylcarnitine', 'O-ACETYL-DL-CARNITINE', 'D/L -ACETYL-CARNITINE', 'ACETYLCARNITINE RACEMATE', 'ACETYL CARNITINE [INCI]', '3-Acetoxy-4-(trimethylammonio)butanoate', '2-(ACETYLOXY)-3-CARBOXY-N,N,N-TRIMETHYL-1-PROPANAMINIUM INNER SALT', '1-Propanaminium, 2-(acetoxy)-3-carboxy-N,N,N-trimethyl-, hydroxide, inner salt, (+-)- (9CI)', '1-Propanaminium, 2-(acetoxy)-3-carboxy-N,N,N-trimethyl-, hydroxide, inner salt, (+-)-(9CI)'] |
2 | [2-(Acetyloxy)-3-carboxypropyl]trimethylazanium | C9H18NO4+ | (2-acetyloxy-3-carboxypropyl)-trimethylazanium | InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/p+1 | CC(=O)OC(CC(=O)O)C[N+](C)(C)C | ['[2-(ACETYLOXY)-3-CARBOXYPROPYL]TRIMETHYLAZANIUM', '1-Propanaminium, 2-(acetyloxy)-3-carboxy-N,N,N-trimethyl-, inner salt', 'Levocarnitine acetyl hydrochloride', '2-(acetyloxy)-3-carboxy-N,N,N-trimethylpropan-1-aminium', 'R-(-)-2-ACETOXY-3-CARBOXY-N,N,N-TRIMETHYL-1-PROPANAMINIUM HYDROCHLORIDE'] |
3 | 5,6-Dihydroxycyclohexa-1,3-diene-1-carboxylic acid | C7H8O4 | 5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid | InChI=1S/C7H8O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,5-6,8-9H,(H,10,11) | C1=CC(C(C(=C1)C(=O)O)O)O | ['5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid', '2,3-dihydroxy-2,3-dihydrobenzoic acid', '2,3-dihydro-2,3-dihydroxybenzoic acid', '2,4-Cyclohexadiene-1-carboxylicacid,1,6-dihydroxy-,(1R,6S)-rel'] |
4 | 1-Aminopropan-2-ol | C3H9NO | 1-aminopropan-2-ol | InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3 | CC(CN)O | ['1-Aminopropan-2-ol', '1-AMINO-2-PROPANOL', 'Isopropanolamine', 'Amino-2-propanol', 'Monoisopropanolamine', 'Threamine', '2-Propanol, 1-amino-', '2-Hydroxypropylamine', 'DL-1-Amino-2-propanol', 'Mipa', '1-Methyl-2-aminoethanol', '2-Hydroxypropanamine', '2-Amino-1-methylethanol', '1-Amino-2-hydroxypropane', '2-Hydroxy-1-propylamine', '(+/-)-1-Amino-2-propanol', 'Mono-iso-propanolamine', 'alpha-Aminoisopropyl alcohol', '1-amino-propan-2-ol', '(RS)-1-amino-2-propanol', '.alpha.-Aminoisopropyl alcohol', '(RS)-1-Amino-2-hydroxypropane', '(+/-)-Isopropanolamine', '2-Hydroxy-1-propanamine', 'beta-Aminoisopropanol', 'D-1-amino-2-propanol', 'D-1-aminopropan-2-ol', 'DL-Isopropanolamine', '2-Propanol, 1-amino- (8CI,9CI)', '2-Propanol, 1-amino-, (.+/-.)-', '(S)-(+)-Isopropanolamine', '2-Propanol, 1-amino-, (R)-', '2-Propanol, 1-amino-, (S)-', 'Aminopropan-2-ol', '1-amino-2 propanol', '3-amino-2-propanol', '3-aminopropan-2-ol', '2-hydroxy-propylamine', '2-hydroxypropyl-amine', '(2-HYDROXY-2-METHYLETHYL)AMINE', '1-Aminoisopropylalcohol', '1-Aminopropanol-(2)', '1-amino-propane-2-ol', '1-Amin-iso-proylalcohol', 'rac-1-amino-2-propanol', '2-hydroxy-1-aminopropane', '(rac)-1-amino-2-propanol', 'racemic 1-amino-2-propanol', '1-amino-2(R,S)-propanol', 'WLN: Z1YQ1', '(2rs)-1-amino-2-propanol', '1-amino-2-Hydroxypropanamine', '(2RS) 1-amino-2-propanol', '2-hydroxy-2-methyl-ethylamine', 'propane, 1-amino-2-hydroxy-', '1-Aminopropan-2-ol (Standard)', '(.+/-.)-1-Amino-2-propanol', '1-AMINO-2-PROPANOL [FHFI]', '1-AMINO-2-PROPANOL [HSDB]', '1-AMINO-2-PROPANOL, (+/-)-', '(+/-)-1-Amino-2-propanol, analytical standard'] |
5 | 3-Amino-2-oxopropyl phosphate | C3H8NO5P | (3-amino-2-oxopropyl) dihydrogen phosphate | InChI=1S/C3H8NO5P/c4-1-3(5)2-9-10(6,7)8/h1-2,4H2,(H2,6,7,8) | C(C(=O)COP(=O)(O)O)N | ['3-Amino-2-oxopropyl phosphate', '3-amino-2-oxopropyl dihydrogen phosphate', '(3-amino-2-oxopropyl) dihydrogen phosphate', '1-Amino-3-(phosphohydroxy)propan-2-one', '2-Propanone, 1-amino-3-(phosphonooxy)- (9CI)', '(3-amino-2-oxopropoxy)phosphonic acid', '2-propanone, 1-amino-3-(phosphonooxy)-'] |
6 | Dinitrochlorobenzene | C6H3ClN2O4 | 1-chloro-2,4-dinitrobenzene | InChI=1S/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl | ['1-chloro-2,4-dinitrobenzene', '2,4-Dinitrochlorobenzene', 'Dinitrochlorobenzene', 'DNCB', 'Chlorodinitrobenzene', 'CDNB', 'Benzene, 1-chloro-2,4-dinitro-', '4-Chloro-1,3-dinitrobenzene', '2,4-Dinitrophenyl chloride', 'Dinitrochlorobenzol', '6-Chloro-1,3-dinitrobenzene', '1,3-Dinitro-4-chlorobenzene', '2,4-Dinitro-1-chlorobenzene', '1-Chloro-2,4-dinitrobenzol', 'ClDNB', 'DNPCl', '1-Chlor-2,4-dinitrobenzene', '1-Cloro-2,4-dinitrobenzene', '1-Chloor-2,4-dinitrobenzeen', 'Dinitrochlorobenzene (VAN)', '1-Chlor-2,4-dinitrobenzol', '1-chloro-2,4-dinitro-benzene', 'UNII-GE3IBT7BMN', '1-CHLORO-2,4-DINITROBENZENE-3,5,6-D3', '1-Chloor-2,4-dinitrobenzeen [Dutch]', '1-Chloro-2,4-dinitrobenzeen [Dutch]', '1-Chloro-2,4-dinitrobenzeen', '1-Cloro-2,4-dinitrobenzene [Italian]', 'GE3IBT7BMN', '1-chloro-2,4-dinitro benzene', '2,4-DINITROCHLOROBENZENE [MART.]', '1-CHLORO-2,4-DINITROBENZENE [MI]', '1-CHLORO-2,4-DINITROBENZENE [HSDB]', '1-CHLORO-2,4-DINITROBENZENE [WHO-DD]', '2,4-DINITROCHLOROBENZENE (MART.)', '1-CHLORO-2,4-DINITROBENZEEN (DUTCH)', '1-CLORO-2,4-DINITROBENZENE (ITALIAN)', '2,4-dinitro chlorobenzene', 'chloro-2,4-dinitrobenzene', '1-Chloro-2,4-dinitrobenzol [German]', '1-CHLORO-2, 4-DINITROBENZENE (DINITROCHLOROBENZENE)', '1-CHLORO-2, 4-DINITROBENZENE {DINITROCHLOROBENZENE}', '2,4dinitrochlorobenzene', '1Chlor2,4dinitrobenzol', '2,4-dinitrochlorbenzene', '1Chlor2,4dinitrobenzene', '1Chloro2,4dinitrobenzol', '1Cloro2,4dinitrobenzene', '2-4 dinitrochlorobenzene', '1,3Dinitro4chlorobenzene', '1Chloor2,4dinitrobenzeen', '1Chloro2,4dinitrobenzeen', '2,4Dinitro1chlorobenzene', '4Chloro1,3dinitrobenzene', '6Chloro1,3dinitrobenzene', 'WLN: WNR BG ENW', '2,4Dinitrophenyl chloride', '2,4-dinitro-chlorobenzene', '2,4-dinitro-chloro-benzene', '2,4dinitro-1-chlorobenzene', 'Benzene, 1chloro2,4dinitro', '1-CHLORODINITROBENZENE', '2-chloro-1,5-dinitrobenzene', '3-(3-hydroxy-2-methyl-4-oxo-1-pyridyl)propanoic acid'] |
7 | 9-Ethyladenine | C7H9N5 | 9-ethylpurin-6-amine | InChI=1S/C7H9N5/c1-2-12-4-11-5-6(8)9-3-10-7(5)12/h3-4H,2H2,1H3,(H2,8,9,10) | CCN1C=NC2=C(N=CN=C21)N | ['9-Ethyladenine', '9-ethyl-9h-purin-6-amine', '9-ethyl adenine', '9H-Purin-6-amine,9-ethyl', '9-Ethyl-9H-purin-6-ylamine', '9H-Purin-6-amine, 9-ethyl-', '9-ethylpurin-6-amine', 'N9-Ethyladenine', 'Adenine, 9-ethyl-', '9-Ethyl-9H-adenine', 'N9 -ethyladenine', '2EC', '6-Amino-9-ethylpurine', '(9-ethylpurin-6-yl)amine', 'purine, 6-amino-9-ethyl-', 'MUIPLRMGAXZWSQ-UHFFFAOYSA-N'] |
8 | 2,3-Dihydroxy-3-methylpentanoic acid | C6H12O4 | 2,3-dihydroxy-3-methylpentanoic acid | InChI=1S/C6H12O4/c1-3-6(2,10)4(7)5(8)9/h4,7,10H,3H2,1-2H3,(H,8,9) | CCC(C)(C(C(=O)O)O)O | ['2,3-Dihydroxy-3-methylpentanoic acid', '2,3-dihydroxy-3-methylvalerate', '2,3-dihydroxy-3-methylpentanoate', 'valeric acid, 2,3-dihydroxy-3-methyl-', '4,5-dideoxy-3-c-methylpentonic acid', 'pentonic acid, 4,5-dideoxy-3-C-methyl-', '2,3-dihydroxy-3-methyl-pentanoic acid', '2,3-Dihydroxy-3-Methyl-Valeric acid', 'alpha,beta-dihydroxy-beta-methylvaleric acid', '2,3-dihydroxy-3-methylvaleric acid', '2,3-Dihydroxy-3-methylpentanoicacid'] |
9 | (2,3,4,5,6-Pentahydroxycyclohexyl) dihydrogen phosphate | C6H13O9P | (2,3,4,5,6-pentahydroxycyclohexyl) dihydrogen phosphate | InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14) | C1(C(C(C(C(C1O)O)OP(=O)(O)O)O)O)O | ['(2,3,4,5,6-pentahydroxycyclohexyl) dihydrogen phosphate', 'DL-Myoinositol-1-phosphate 2 CHA', '(2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL)OXYPHOSPHONIC ACID', '[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphonic acid', 'Inositol 1-monophosphate', 'inositol-2-monophosphate', 'Inositol, 1-(dihydrogen phosphate)', '[(2,3,4,5,6-pentahydroxycyclohexyl)oxy]phosphonic acid'] |
10 | CID 10 | C20H23N7O7 | 2-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methyl-formylamino]benzoyl]amino]pentanedioic acid | InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)23-11(7-22-16)8-27(9-28)12-3-1-10(2-4-12)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,11,13,23H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,22,25,26,32) | C1C(NC2=C(N1)NC(=NC2=O)N)CN(C=O)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O | [] |
11 | 1,2-Dichloroethane | C2H4Cl2 | 1,2-dichloroethane | InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2 | C(CCl)Cl | ['1,2-dichloroethane', 'Ethylene dichloride', 'Ethylene chloride', 'Ethane, 1,2-dichloro-', 'Dichloroethylene', 'Glycol dichloride', 'Dutch liquid', 'Ethane dichloride', 'Aethylenchlorid', 'Dichloro-1,2-ethane', 'sym-Dichloroethane', 'Dichloremulsion', '1,2-DCE', '1,2-Dichlorethane', 'Brocide', '1,2-Bichloroethane', 'Dichlor-Mulsion', "Bichlorure D'ethylene", 'Borer sol', 'Di-chlor-mulsion', 'alpha,beta-Dichloroethane', 'EDC (halocarbon)', '1,2-Ethylene dichloride', 'Destruxol borer-sol', '1,2-Ethylidene dichloride', 'Aethylendichlorid', 's-Dichloroethane', 'Ethyleendichloride', '1,2-Dichlor-aethan [German]', 'Cloruro di ethene', '1,2-Dicloroetano', 'RY Dichloro-1,2-ethane', '1,2-Dichloraethan', "Chlorure D'ethylene", '1,2-Dichloorethaan', 'DCE', '1,2-Dichlor-aethan', '1,2-Dichloro-Ethane', 'Ethylene dichloride [BSI:ISO]', 'ethylenedichloride', '1,2dichloroethane', "Dichlorure d'ethylene [ISO-French]", 'EDC', '1.2-dichloroethane', '.alpha.,.beta.-Dichloroethane', 'CH2ClCH2Cl', 'ETHYLENE DICHLORIDE [MI]', 'ETHYLENE DICHLORIDE [FCC]', 'ETHYLENE DICHLORIDE [ISO]', 'ETHYLENE DICHLORIDE [HSDB]', '1,2-DICHLOROETHANE [IARC]', 'ETHYLENE DICHLORIDE [MART.]', 'ETHYLENE DICHLORIDE [WHO-DD]', '1,2-DICHLOROETHANE [USP-RS]', 'ETHAMBUTOL HYDROCHLORIDE IMPURITY D [EP IMPURITY]', '1, 2-dichloroethane', '1,2-DICHLOROETHANE (IARC)', 'ETHYLENE DICHLORIDE (MART.)', 'Aethylenchlorid [German]', "Dichlorure d'ethylene (ISO-French)", '1,2-DICHLOROETHANE (USP-RS)', 'Ethyleendichloride [Dutch]', '1,2-Dichloroethane, analytical standard', 'Cloruro di ethene [Italian]', '1,2-Dichloorethaan [Dutch]', '1,2-Dicloroetano [Italian]', "Chlorure d'ethylene [French]", '1,2 dichloroethane', "Bichlorure d'ethylene [French]", "Dichlorure d'ethylene", 'Dichloro-1,2-ethane [French]', 'ClCH2CH2Cl', '1, 2-DICHLOROETHANE (ETHYLENE DICHLORIDE)', '1, 2-DICHLOROETHANE {ETHYLENE DICHLORIDE}', 'alpha, beta-dichloroethane', 'ETHAMBUTOL HYDROCHLORIDE IMPURITY D (EP IMPURITY)', 'ethylenechloride', '-Dichloroethane', 'ethylendichloride', 'alpha,Bet', 'dichloro ethylene', 'ethylene-chloride', 'ethylene dichoride', '1,2-DICHLOROETHANE, ACS', '1,2dichlorethane', 'ehtylene dichloride', 'a,b-Dichloroethane', 'Ethene, dichloro-', '1,2 dichlorethane', '1,2 dichoroethane', '1,2-dichloroetane', '1,2-dichloroethan', '1,2-dichoroethane', '1,2-dicloroethane', '1,2-dichioroethane', 'Ethylene, dichloro-', '1,2-dichloroetharie', '1 ,2-dichloroethane', '1, 2 dichloroethane', '1,2 -dichloroethane', '1,2 dichloro ethane', '1,2,-dichloroethane', '1,2- dichloroethane', '1,2-di-chloroethane', '1,2-dichloro ethane', '1.2-di-chloroethane', '1,2-ethylenedichloride', 'ClCH2-CH2Cl', 'dichloro-1, 2-ethane', 'ethylene dichloride (1,2-dichloroethane)', 'C1CH2CH2Cl', 'ClCH2CH2C1', 'EDC, JMAF', 'Cl(CH2)2Cl', 'Ethene, dichloro-(9CI)', '1,2-Dichloroethane (OSHA)', '1,2-Dichloroethane ACS grade', '1,2-Dichloroethane, for HPLC', 'Ethylene dichloride, BSI, ISO', '1,2-Dichloroethane, ACS reagent', '1,2-Dichloroethane, HPLC Grade', 'ETHYLENE DICHLORIDE [INCI]', 'Ethylene dichloride (ACGIH:OSHA)', '1,2-Dichloroethane, Spectrophotometric Grade'] |
12 | 1,2,3,5-Tetrahydroxybenzene | C6H6O4 | benzene-1,2,3,5-tetrol | InChI=1S/C6H6O4/c7-3-1-4(8)6(10)5(9)2-3/h1-2,7-10H | C1=C(C=C(C(=C1O)O)O)O | ['1,2,3,5-Benzenetetrol', '1,2,3,5-tetrahydroxybenzene', 'benzene-1,2,3,5-tetrol', '5-hydroxypyrogallol', '6KQM6GV7J9', 'HYDROXYPHLOROGLUCINOL', 'UNII-6KQM6GV7J9', 'N-Benzylglycineethylester', 'benzene-1,2,3,5-tetraol', 'RDJUHLUBPADHNP-UHFFFAOYSA-N'] |
13 | 1,2,4-Trichlorobenzene | C6H3Cl3 | 1,2,4-trichlorobenzene | InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H | C1=CC(=C(C=C1Cl)Cl)Cl | ['1,2,4-trichlorobenzene', 'Benzene, 1,2,4-trichloro-', 'unsym-Trichlorobenzene', 'Hostetex L-pec', 'Trojchlorobenzen', '1,2,4-Trichlorbenzol', '1,2,4-Trichlorobenzol', '1,3,4-Trichlorobenzene', '1,2,5-Trichlorobenzene', 'as-trichlorobenzene', '1,2,4-trichloro-benzene', 'Trichlorobenzene A', '1,2,4-TCB', 'Trojchlorobenzen [Polish]', '1,2, 4-Trichlorobenzene', 'Trichlorobenzol', 'Hipochem GM', '1,4-Trichlorobenzol', '1,4-Trichlorobenzene', '1,2,4-triclorobenzene', 'Benzene,2,4-trichloro-', 'WLN: GR BG DG', 'Benzene, 1,2,4-trichloro-, radical ion(1-)', '2,4-dichlorophenyl chloride', '1,2,4-TRICHLOROBENZENE [MI]', '1,2,4-TRICHLOROBENZENE [HSDB]', '1,2,4-Trichlorobenzene, Spectrophotometric Grade', 'Benzene,1,2,4-trichloro-,radical ion(1-)(9ci)', '1,2,4-Trichlorobenzene, PESTANAL(R), analytical standard', 'InChI=1/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3', '1,2,4-Trichlorobenzene, certified reference material, TraceCERT(R)'] |
14 | 7-[3-Hydroxy-5-oxo-2-(3-oxooct-1-enyl)cyclopentyl]heptanoic acid | C20H32O5 | 7-[3-hydroxy-5-oxo-2-(3-oxooct-1-enyl)cyclopentyl]heptanoic acid | InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,16-17,19,23H,2-11,14H2,1H3,(H,24,25) | CCCCCC(=O)C=CC1C(CC(=O)C1CCCCCCC(=O)O)O | [] |
15 | 17-Hydroxyandrostan-3-one | C19H30O2 | 17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one | InChI=1S/C19H30O2/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/h12,14-17,21H,3-11H2,1-2H3 | CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4O)C | ['Anaprotin', '5.beta.-Dihydrotestosterone', '5B-DIHYDROTESTOSTERONE', 'NVKAWKQGWWIWPM-UHFFFAOYSA-N'] |
16 | 1,8-Diazacyclotetradecane-2,9-dione | C12H22N2O2 | 1,8-diazacyclotetradecane-2,9-dione | InChI=1S/C12H22N2O2/c15-11-7-3-1-5-9-13-12(16)8-4-2-6-10-14-11/h1-10H2,(H,13,16)(H,14,15) | C1CCC(=O)NCCCCCC(=O)NCC1 | ['1,8-diazacyclotetradecane-2,9-dione', '6-Aminohexanoate Cyclic Dimer', 'CAPROLACTAM CYCLIC DIMER', 'ADTN, (+)', '1,8-DIAZA-2,9-DIOXOCYCLOTETRADECANE', 'CYCLIC DIMER OF .EPSILON.-CAPROLACTAM', '1,8-DIAZA-2,9-DIKETOCYCLOTETRADECANE', '.EPSILON.-AMINOCAPROIC ACID CYCLIC DIMER', 'nylon cyclic dimer', '2H-AZEPIN-2-ONE, HEXAHYDRO-, CYCLIC DIMER', 'nylon 6 cyclic dimer', 'ACD', '1,8-Diaza-2,9-dioxo-cyclo-tetradecan', 'PA 6 DIMER', 'Cyclic Dimer of Caprolactam', '6-aminohexanoic acid cyclic dimer', 'CYCLIC DIMER OF EPSILON-CAPROLACTAM', 'EPSILON-AMINOCAPROIC ACID CYCLIC DIMER'] |
17 | 2,3-Dihydropyridine-2,6-dicarboxylic acid | C7H7NO4 | 2,3-dihydropyridine-2,6-dicarboxylic acid | InChI=1S/C7H7NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-2,5H,3H2,(H,9,10)(H,11,12) | C1C=CC(=NC1C(=O)O)C(=O)O | ['2,3-dihydropyridine-2,6-dicarboxylic acid', 'dihydrodipicolinate', '2,3-di-H-dipicolinate', '2,3-dihydrodipicolinic acid', 'UWOCFOFVIBZJGH-UHFFFAOYSA-N', '2,6-Pyridinedicarboxylic acid, 2,3-dihydro-'] |
18 | 2,3-dioxo-L-gulonic | C6H8O7 | 4,5,6-trihydroxy-2,3-dioxohexanoic acid | InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,7-9H,1H2,(H,12,13) | C(C(C(C(=O)C(=O)C(=O)O)O)O)O | ['2,3-DIKETOGULONIC ACID', '2,3-dioxo-L-gulonic', '2,3-dioxo-L-gulonate(1-)', '2,3-dioxo-L-Gulonic acid(1-)'] |
19 | 2,3-Dihydroxybenzoic acid | C7H6O4 | 2,3-dihydroxybenzoic acid | InChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11) | C1=CC(=C(C(=C1)O)O)C(=O)O | ['2,3-Dihydroxybenzoic acid', 'Pyrocatechuic acid', 'o-Pyrocatechuic acid', '2-Pyrocatechuic acid', 'Benzoic acid, 2,3-dihydroxy-', '3-Hydroxysalicylic acid', 'DOBK', '2,3-Dihydroxybenzoicacid', 'DHBA', 'Catecholcarboxylic acid', 'dihydroxybenzoic acid', '2,3-DIHYDROXY-BENZOIC ACID', '2,3 DHB', 'Catechol-3-carboxylic acid', '2,3-dihydroxy benzoic acid', '2,3-DIHDROXYBENZOIC ACID', 'Resorcylic acid', 'Benzoic acid, dihydroxy-', 'Pyrocatechuate', 'o-Pyrocatechuate', 'Catecholcarboxylate', '1l6m', '3tf6', '3u0d', 'Benzoic acid,3-dihydroxy-', '2,3 Dihydroxy-benzoic acid', '2,3-Dihydroxybenzoate, IV', 'Pyrocatechol-3-carboxylic Acid', '1,2-DIHYDROXYBENZENE-3-CARBOXYLIC ACID'] |
20 | 3-(2,3-Dihydroxyphenyl)propanoic acid | C9H10O4 | 3-(2,3-dihydroxyphenyl)propanoic acid | InChI=1S/C9H10O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-3,10,13H,4-5H2,(H,11,12) | C1=CC(=C(C(=C1)O)O)CCC(=O)O | ['3-(2,3-dihydroxyphenyl)propanoic acid', '2,3-Dihydroxyphenylpropionic acid', '3-(2,3-dihydroxyphenyl)propionic acid', '2,3-Dihydroxy-benzenepropanoic acid', '2,3-Dhppa', 'Benzenepropanoic acid, 2,3-dihydroxy-', '2,3-DHP', '2,3-dihyrroxybenzenepropanoic acid', '2,3-dihydroxy-beta-phenylpropionic acid', '3-Hydroxymelilotsaure', '3-(2,3-dihydroxyphenyl)propanoicacid', 'HYDROCINNAMIC ACID, 2,3-DIHYDROXY-', '.BETA.-(2,3-DIHYDROXYPHENYL)PROPIONIC ACID'] |
21 | 2-Aceto-2-hydroxybutanoate | C6H10O4 | 2-ethyl-2-hydroxy-3-oxobutanoic acid | InChI=1S/C6H10O4/c1-3-6(10,4(2)7)5(8)9/h10H,3H2,1-2H3,(H,8,9) | CCC(C(=O)C)(C(=O)O)O | ['Acetohydroxybutyrate', '2-Aceto-2-hydroxybutanoate', 'AAAHB', '2-Aceto-2-hydroxybutyrate', '2-ethyl-2-hydroxy-3-oxobutanoic acid', 'alpha-aceto-alpha-hydroxybutyrate', 'Butanoic acid, 2-ethyl-2-hydroxy-3-oxo-', '2-ethyl-2-hydroxy-3-oxo-butanoic acid', '(S)-2-Aceto-2-hydroxybutanoic acid', 'Acetohydroxybutyric acid', 'alpha-Acetohydroxybutyric acid', '2-Aceto-2-hydroxybutyric acid', '2-ethyl-2-hydroxy-3-oxobutanoicacid', '2-hydroxy-2-ethyl-3-keto-butanoic acid', 'Butanoic acid, 2-ethyl-2-hydroxy-3-oxo', 'Butanoic acid, 2-ethyl-2-hydroxy-3-oxo- (9CI)', 'butanoic acid, 2-ethyl-2-hydroxy-3-oxo-, (2S)-', 'Acetoacetic acid, 2-ethyl-2-hydroxy- (6CI,7CI,8CI)'] |
22 | 2-Hydroxy-2-methyl-3-oxobutanoic acid | C5H8O4 | 2-hydroxy-2-methyl-3-oxobutanoic acid | InChI=1S/C5H8O4/c1-3(6)5(2,9)4(7)8/h9H,1-2H3,(H,7,8) | CC(=O)C(C)(C(=O)O)O | ['2-Acetolactate', '2-hydroxy-2-methyl-3-oxobutanoic acid', 'DL-Acetolactic acid', 'Butanoic acid, 2-hydroxy-2-methyl-3-oxo-', '2-acetyllactic acid', 'QV9C4ZW4PY', '2-HYDROXY-2-METHYL-3-OXO-BUTANOIC ACID', '2-Acetolactic acid, (+/-)-', 'Acetoacetic acid, 2-hydroxy-2-methyl-', '2-Hydroxy-2-methyl-3-oxobutanoicacid', 'UNII-QV9C4ZW4PY'] |
23 | 2-Amino-3-(3-oxo-1-propen-1-yl)-2-butenedioic acid | C7H7NO5 | 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid | InChI=1S/C7H7NO5/c8-5(7(12)13)4(6(10)11)2-1-3-9/h1-3H,8H2,(H,10,11)(H,12,13) | C(=CC(=C(C(=O)O)N)C(=O)O)C=O | ['2-Amino-3-(3-oxo-1-propen-1-yl)-2-butenedioic acid', '1-amino-4-formyl-1,3-butadiene-1,2-dicarboxylic acid'] |
24 | 2-Amino-5,6,7,8-tetrahydroxy-6-(1,2,3-trihydroxypropyl)-3,4a,7,8a-tetrahydropteridin-4-one | C9H17N5O8 | 2-amino-5,6,7,8-tetrahydroxy-6-(1,2,3-trihydroxypropyl)-3,4a,7,8a-tetrahydropteridin-4-one | InChI=1S/C9H17N5O8/c10-8-11-5-3(6(18)12-8)14(22)9(20,7(19)13(5)21)4(17)2(16)1-15/h2-5,7,15-17,19-22H,1H2,(H3,10,11,12,18) | C(C(C(C1(C(N(C2C(N1O)C(=O)NC(=N2)N)O)O)O)O)O)O | [] |
25 | CID 25 | C9H15N5O6 | 2-amino-7,8-dihydroxy-6-(1,2,3-trihydroxypropyl)-1,5,6,7-tetrahydropteridin-4-one | InChI=1S/C9H15N5O6/c10-9-12-6-4(7(18)13-9)11-3(8(19)14(6)20)5(17)2(16)1-15/h2-3,5,8,11,15-17,19-20H,1H2,(H3,10,12,13,18) | C(C(C(C1C(N(C2=C(N1)C(=O)N=C(N2)N)O)O)O)O)O | [] |
26 | 1-(2-Amino-7,8-dihydroxy-4-oxo-3,4a,7,8a-tetrahydropteridin-6-yl)propane-1,2-dione | C9H11N5O5 | 1-(2-amino-7,8-dihydroxy-4-oxo-3,4a,7,8a-tetrahydropteridin-6-yl)propane-1,2-dione | InChI=1S/C9H11N5O5/c1-2(15)5(16)3-8(18)14(19)6-4(11-3)7(17)13-9(10)12-6/h4,6,8,18-19H,1H3,(H3,10,12,13,17) | CC(=O)C(=O)C1=NC2C(N=C(NC2=O)N)N(C1O)O | [] |
27 | CID 27 | C9H16N5O15P3 | [[3-(2-amino-7,8-dihydroxy-4-oxo-1,7-dihydropteridin-6-yl)-2,3-dihydroxypropoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate | InChI=1S/C9H16N5O15P3/c10-9-12-6-4(7(17)13-9)11-3(8(18)14(6)19)5(16)2(15)1-27-31(23,24)29-32(25,26)28-30(20,21)22/h2,5,8,15-16,18-19H,1H2,(H,23,24)(H,25,26)(H2,20,21,22)(H3,10,12,13,17) | C(C(C(C1=NC2=C(NC(=NC2=O)N)N(C1O)O)O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O | [] |
28 | 2,4-Hexadienedioicacid, 2-amino- | C6H7NO4 | 2-aminohexa-2,4-dienedioic acid | InChI=1S/C6H7NO4/c7-4(6(10)11)2-1-3-5(8)9/h1-3H,7H2,(H,8,9)(H,10,11) | C(=CC(=O)O)C=C(C(=O)O)N | ['2,4-Hexadienedioicacid, 2-amino-'] |
29 | 3-Oxoalanine | C3H5NO3 | 2-amino-3-oxopropanoic acid | InChI=1S/C3H5NO3/c4-2(1-5)3(6)7/h1-2H,4H2,(H,6,7) | C(=O)C(C(=O)O)N | ['2-amino-3-oxopropanoic acid', '3-oxoalanine', 'alpha-formylglycine', '2-Formylglycine', 'alanon', 'a-Formylglycine', 'C-formylglycine', '3-oxo-(9CI)-Alanine', '2-amino-3-oxo-Propanoate', '2-amino-3-oxo-Propanoic acid', 'amino-(8CI)Malonaldehydic acid'] |
30 | 2-Amino-6-oxohexa-2,4-dienoic acid | C6H7NO3 | 2-amino-6-oxohexa-2,4-dienoic acid | InChI=1S/C6H7NO3/c7-5(6(9)10)3-1-2-4-8/h1-4H,7H2,(H,9,10) | C(=CC=O)C=C(C(=O)O)N | ['2-amino-6-oxohexa-2,4-dienoic acid', '2-AMINO-6-OXO-HEXA-2,4-DIENOIC ACID'] |
31 | (2,3,4-Trihydroxy-3-methylbutyl) dihydrogen phosphate | C5H13O7P | (2,3,4-trihydroxy-3-methylbutyl) dihydrogen phosphate | InChI=1S/C5H13O7P/c1-5(8,3-6)4(7)2-12-13(9,10)11/h4,6-8H,2-3H2,1H3,(H2,9,10,11) | CC(CO)(C(COP(=O)(O)O)O)O | [] |
32 | 1,3-Butadiene-1,1,4-tricarboxylic acid | C7H6O6 | buta-1,3-diene-1,1,4-tricarboxylic acid | InChI=1S/C7H6O6/c8-5(9)3-1-2-4(6(10)11)7(12)13/h1-3H,(H,8,9)(H,10,11)(H,12,13) | C(=CC(=O)O)C=C(C(=O)O)C(=O)O | ['1,3-Butadiene-1,1,4-tricarboxylic acid'] |
33 | Chloroacetaldehyde | C2H3ClO | 2-chloroacetaldehyde | InChI=1S/C2H3ClO/c3-1-2-4/h2H,1H2 | C(C=O)Cl | ['CHLOROACETALDEHYDE', '2-chloroacetaldehyde', '2-Chloroethanal', 'Chloroethanal', 'Acetaldehyde, chloro-', 'Chloroaldehyde', 'Monochloroacetaldehyde', '2-Chloro-1-ethanal', 'Acetaldehyde, 2-chloro-', 'Chloroacetaldehyde monomer', 'Chloroacetalaldehyde', 'CH2ClCHO', 'alpha-chloroacetaldehyde', '2-Chloro-Acetaldehyde', 'CHLOROACETALDEHYDE [MI]', 'CHLOROACETALDEHYDE [HSDB]', '2Chloroethanal', 'chloracetaldehyde', 'chloroactaldehyde', '2Chloro1ethanal', 'chloroacetoaldehyde', 'chloro acetaldehyde', 'chloro-acetaldehyde', '2Chloroacetaldehyde', 'acetaldehyde, chloro', 'ClCH2CHO', 'chloroacetaldehyde (CAA)', 'Chloroacetaldehyde (ACGIH:OSHA)', 'CHLOROACETALDEHYDE, MONOMER'] |
34 | 2-Chloroethanol | C2H5ClO | 2-chloroethanol | InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2 | C(CCl)O | ['2-chloroethanol', 'Ethylene chlorohydrin', 'Ethanol, 2-chloro-', 'Glycol chlorohydrin', '2-Chloroethyl alcohol', 'Chloroethanol', 'Glycol monochlorohydrin', '2-Monochloroethanol', 'Ethylchlorohydrin', '2-Chlorethanol', '2-Chloro-1-ethanol', '2-Hydroxyethyl chloride', 'Glycomonochlorhydrin', 'beta-Chloroethyl alcohol', 'Ethylene chlorhydrin', 'Ethene, chlorohydrin', '2-Chloorethanol', '2-Chloraethanol', '2-Cloroetanolo', 'beta-Chloroethanol', 'Aethylenechlorhydrin', '2-Chloro-1-hydroxyethane', 'Glicol monocloridrina', 'Ethyleen-chloorhydrine', 'Glycolmonochloorhydrine', 'Ethylene glycol, chlorohydrin', 'beta-Hydroxyethyl chloride', 'Chloroalcohol', '2-CHLORO-ETHANOL', 'Monochlorhydrine du glycol', '.beta.-Chloroethyl alcohol', 'Ethanol, chloro-', '.beta.-Chloroethanol', '.beta.-Hydroxyethyl chloride', 'delta-Chloroethanol', '2-Chloorethanol [Dutch]', '2-Chlorethanol [German]', '2-Chloraethanol [German]', '2-Cloroetanolo [Italian]', '2-Chloro Ethanol', 'Aethylenechlorhydrin [German]', 'Ethyleen-chloorhydrine [Dutch]', 'Chloroethylowy alkohol', 'Glycolmonochloorhydrine [Dutch]', 'Chloroethylowy alkohol [Polish]', 'Glicol monocloridrina [Italian]', 'Monochlorhydrine du glycol [French]', '2-chloranylethanol', 'ethylenechlorohydrin', 'delta-Chloroethanolchloroethylowy alkohol [Polish]', 'ethylenechlorohydrine', '2-choroethan-1-ol', 'ethylene chlorohydrine', '2-chloroethan-1-ol', '2-Chloroethanol (ethylene chlorohydrin)', 'delta-Chloroethanolchloroethylowy alkohol', '2-chloro-ethan-1-ol', 'CH2ClCH2OH', 'buta-1,3-diene-1,1,4-tricarboxylic acid', '1-chloro-2-hydroxyethane', 'WLN: Q2G', '2-CHLOROETHANOL [HSDB]', 'ETHYLENE CHLOROHYDRIN [MI]', 'ArgoGel(TM)-Cl, 1 % cross-linked', '.delta.-Chloroethanolchloroethylowy alkohol', 'InChI=1/C2H5ClO/c3-1-2-4/h4H,1-2H', '2-Chloroethanol, PESTANAL(R), analytical standard'] |
35 | (2-Chloro-5-oxo-2,5-dihydro-2-furyl)acetic acid | C6H5ClO4 | 2-(2-chloro-5-oxofuran-2-yl)acetic acid | InChI=1S/C6H5ClO4/c7-6(3-4(8)9)2-1-5(10)11-6/h1-2H,3H2,(H,8,9) | C1=CC(OC1=O)(CC(=O)O)Cl | ['(2-chloro-5-oxo-2,5-dihydro-2-furyl)acetic acid', '2-(2-chloro-5-oxofuran-2-yl)acetic acid', '(2-chloro-5-oxo-2,5-dihydrofuran-2-yl)acetic acid'] |
36 | 2-Hydroxy-3-isopropylsuccinic acid | C7H12O5 | 2-hydroxy-3-propan-2-ylbutanedioic acid | InChI=1S/C7H12O5/c1-3(2)4(6(9)10)5(8)7(11)12/h3-5,8H,1-2H3,(H,9,10)(H,11,12) | CC(C)C(C(C(=O)O)O)C(=O)O | ['2-hydroxy-3-isopropylsuccinic acid', '3-isopropylmalic acid', '2-hydroxy-3-propan-2-ylbutanedioic acid', 'Butanedioic acid, 2-hydroxy-3-(1-methylethyl)-', '2-hydroxy-3-(propan-2-yl)butanedioic acid', '3-carboxy-2-hydroxy-4-methylpentanoic acid'] |
37 | 3-Deoxyhex-2-ulosonic acid | C6H10O6 | 4,5,6-trihydroxy-2-oxohexanoic acid | InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12) | C(C(C(CO)O)O)C(=O)C(=O)O | ['3-deoxyhex-2-ulosonic acid'] |
38 | 2-Dehydropantoate | C6H10O4 | 4-hydroxy-3,3-dimethyl-2-oxobutanoic acid | InChI=1S/C6H10O4/c1-6(2,3-7)4(8)5(9)10/h7H,3H2,1-2H3,(H,9,10) | CC(C)(CO)C(=O)C(=O)O | ['2-dehydropantoate', '4-hydroxy-3,3-dimethyl-2-oxobutanoic acid', 'ketopantoic acid', 'ketopantoate', '2-dehydropantoic acid', 'Butanoic acid, 4-hydroxy-3,3-dimethyl-2-oxo-', 'KPL', '3-Hydroxymethyl-3-methyl-2-oxobutanoic acid', '3,3-Dimethyl-4-oxidanyl-2-oxidanylidene-butanoic acid', 'alpha-keto-beta,beta-dimethyl-gamma-hydroxybutyric acid'] |
39 | Dihydro-4,4-dimethyl-2,3-Furandione | C6H8O3 | 4,4-dimethyloxolane-2,3-dione | InChI=1S/C6H8O3/c1-6(2)3-9-5(8)4(6)7/h3H2,1-2H3 | CC1(COC(=O)C1=O)C | ['4,4-Dimethyldihydrofuran-2,3-dione', 'Dihydro-4,4-dimethyl-2,3-Furandione', 'Keto-pantoyllactone', '2-dehydropantolactone', 'ketopantolactone', '4,4-dimethyloxolane-2,3-dione', '2,3-Furandione, dihydro-4,4-dimethyl-', '4,4-Dimethyldihydro-2,3-furandione', '2-dehydropantoyl lactone', 'Dihydro-4,4-dimethylfuran-2,3-dione', '4,4-dimethyl-4,5-dihydrofuran-2,3-dione', 'ketopantoyl lactone', '2-oxopantoyl lactone', 'HRTOQFBQOFIFEE-UHFFFAOYSA-', '2-Oxo-3,3-dimethyl-gamma-butyrolactone', '4,4-Dimethyldihydro-2,3-furandione #', '4,4-dimethyl-tetrahydro-furan-2,3-dione', 'InChI=1/C6H8O3/c1-6(2)3-9-5(8)4(6)7/h3H2,1-2H3'] |
40 | 2-Deoxyhexopyranose | C6H12O5 | 6-(hydroxymethyl)oxane-2,4,5-triol | InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2 | C1C(C(C(OC1O)CO)O)O | ['2-Deoxyhexopyranose', '2-deoxy-beta-d-glucopyranose', 'a-D-arabino-Hexopyranose, 2-deoxy-', '2-Deoxyhexose', '2-Deoxy-D-arabino-hexopyranose', '6-(hydroxymethyl)oxane-2,4,5-triol', '2-deoxy-?-D-galactose', '2 DG', 'PMMURAAUARKVCB-UHFFFAOYSA-N'] |
41 | 1-Penten-3-one, 2-hydroxy-5-(methylthio)-1-(phosphonooxy)- | C6H11O6PS | (2-hydroxy-5-methylsulfanyl-3-oxopent-1-enyl) dihydrogen phosphate | InChI=1S/C6H11O6PS/c1-14-3-2-5(7)6(8)4-12-13(9,10)11/h4,8H,2-3H2,1H3,(H2,9,10,11) | CSCCC(=O)C(=COP(=O)(O)O)O | ['1-Penten-3-one, 2-hydroxy-5-(methylthio)-1-(phosphonooxy)-'] |
42 | 2-Hydroxy-6-oxonona-2,4-dienedioic acid | C9H10O6 | 2-hydroxy-6-oxonona-2,4-dienedioic acid | InChI=1S/C9H10O6/c10-6(4-5-8(12)13)2-1-3-7(11)9(14)15/h1-3,11H,4-5H2,(H,12,13)(H,14,15) | C(CC(=O)O)C(=O)C=CC=C(C(=O)O)O | ['2-hydroxy-6-oxonona-2,4-dienedioic acid', '2-Hydroxy-6-oxo-2,4-nonadienedioic acid', '2-hydroxy-6-oxonona-2,4-diene-1,9-dioic acid'] |
43 | 2-Hydroxyglutaric acid | C5H8O5 | 2-hydroxypentanedioic acid | InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10) | C(CC(=O)O)C(C(=O)O)O | ['2-hydroxyglutaric acid', '2-hydroxypentanedioic acid', '2-hydroxyglutarate', 'alpha-hydroxyglutarate', 'alpha-Hydroxyglutaric acid', 'Pentanedioic acid, 2-hydroxy-', '2,3-Dideoxypentaric acid', '2-oxidanylpentanedioic acid', 'Glutaric acid, 2-hydroxy-', '(+/-)-2-Hydroxyglutaric acid', '2-Hydroxyglutaric acid disodium salt', '2-hydroxypentanedioicacid', 'DL-2-Hydroxyglutaric', '?-Hydroxyglutaric Acid', 'DL-2-HYDROXYGLUTARIC ACID', 'HWXBTNAVRSUOJR-UHFFFAOYSA-N', 'Pentanedioic acid, 2-hydroxy- (9CI)', '2-HYDROXYGLUTARIC ACID, (+/-)-', 'Glutaric acid, 2-hydroxy- (6CI,7CI,8CI)'] |
44 | Tartronate | C3H2O5-2 | 2-hydroxypropanedioate | InChI=1S/C3H4O5/c4-1(2(5)6)3(7)8/h1,4H,(H,5,6)(H,7,8)/p-2 | C(C(=O)[O-])(C(=O)[O-])O | ['tartronate', 'hydroxypropanedioate', 'hydroxymalonate', '2-hydroxypropanedioate', 'hydroxymalonate(2-)'] |
45 | Tartronic acid | C3H4O5 | 2-hydroxypropanedioic acid | InChI=1S/C3H4O5/c4-1(2(5)6)3(7)8/h1,4H,(H,5,6)(H,7,8) | C(C(=O)O)(C(=O)O)O | ['Tartronic acid', '2-Hydroxymalonic acid', 'Hydroxymalonic acid', '2-Hydroxypropanedioic acid', 'Tartronicacid', 'Propanedioic acid, hydroxy-', '2-Tartronic acid', 'hydroxypropanedioic acid', '2-hydroxymalonate', 'MALONIC ACID, HYDROXY-', 'hydroxy-malonic acid', 'Tartronic acid, 8CI', 'TARTRONIC ACID [MI]', '.ALPHA.-HYDROXYMALONIC ACID', 'C3H4O5', '2-Tartronate', '2-Hydroxymalonicacid', '4m6u', 'alpha-hydroxymalonic acid', 'HydroxymalonsA currencyure', 'hydron;2-hydroxypropanedioate', 'Propanedioic acid, hydroxy-(9CI)', 'Propanedioic acid, hydroxy- (9CI)'] |
46 | 3-Deoxy-6-O-phosphonohex-2-ulosonic acid | C6H11O9P | 4,5-dihydroxy-2-oxo-6-phosphonooxyhexanoic acid | InChI=1S/C6H11O9P/c7-3(1-4(8)6(10)11)5(9)2-15-16(12,13)14/h3,5,7,9H,1-2H2,(H,10,11)(H2,12,13,14) | C(C(C(COP(=O)(O)O)O)O)C(=O)C(=O)O | ['3-Deoxy-6-O-phosphonohex-2-ulosonic acid'] |
47 | 3-Methyl-2-oxovaleric acid | C6H10O3 | 3-methyl-2-oxopentanoic acid | InChI=1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9) | CCC(C)C(=O)C(=O)O | ['3-Methyl-2-oxovaleric acid', '3-Methyl-2-oxopentanoic acid', 'alpha-Keto-beta-methylvaleric acid', 'ketoisoleucine', '3-Ethyl-3-methylpyruvic acid', '2-oxo-3-methyl-n-valeric acid', 'Pentanoic acid, 3-methyl-2-oxo-', '2-Oxo-3-methylpentanoic acid', '2-Oxo-3-methylvalerate', '2-OXO-3-METHYLVALERIC ACID', '3-Methyl-2-oxovaleric', '2-oxoisoleucine', '3-methyl-2-oxo-pentanoic acid', '2-oxokolavenic acid', 'alpha-keto-beta-methyl-n-valeric acid', '(1)-3-Methyl-2-oxovaleric acid', '3-Methyl-2-oxopentanoicacid', '2-keto-3-methyl-valeric acid', 'DL-3-METHYL-2-OXOPENTANOATE', '(+/-)-3-methyl-2-oxopentanoic acid', 'DL-3-METHYL-2-OXOVALERIC ACID', '3-Methyl-2-oxovaleric acid (Standard)', 'VALERIC ACID, 3-METHYL-2-OXO-', 'DL-3-ETHYL-3-METHYLPYRUVIC ACID', 'DL-3-METHYL-2-OXOPENTANOIC ACID', '3-METHYL-2-OXOVALERIC ACID, DL-', 'DL-3-METHYL-2-OXO PENTANOIC ACID', '3-Methyl-2-oxopentanoic acid, AldrichCPR', '3-METHYL-2-OXOPENTANOIC ACID [FHFI]', '.ALPHA.-OXO-.BETA.-METHYLVALERIC ACID', '.ALPHA.-KETO-.BETA.-METHYLVALERIC ACID', '3-METHYL-2-OXOPENTANOIC ACID, (+/-)-', '.ALPHA.-KETO-.BETA.-METHYL-N-VALERIC ACID', '.ALPHA.-OXO-.BETA.-METHYL-N-VALERIC ACID'] |
48 | alpha-Ketoglutaramate | C5H7NO4 | 5-amino-2,5-dioxopentanoic acid | InChI=1S/C5H7NO4/c6-4(8)2-1-3(7)5(9)10/h1-2H2,(H2,6,8)(H,9,10) | C(CC(=O)N)C(=O)C(=O)O | ['alpha-Ketoglutaramate', '5-amino-2,5-dioxopentanoic acid', '2-Oxoglutaramic acid', '2-keto-glutaramic acid', '2-Ketoglutaramate', 'Pentanoic acid, 5-amino-2,5-dioxo-', '5-AMINO-2,5-DIOXO-PENTANOIC ACID', '4-carbamoyl-2-oxobutanoic acid', '2-keto-glutaramate', '5-amino-2,5-dioxopentanoicacid'] |
49 | 3-Methyl-2-oxobutanoic acid | C5H8O3 | 3-methyl-2-oxobutanoic acid | InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8) | CC(C)C(=O)C(=O)O | ['3-Methyl-2-oxobutanoic acid', '3-methyl-2-oxo-butanoic acid', '2-Ketoisovaleric acid', 'alpha-Ketoisovalerate', '3-Methyl-2-oxobutyric acid', 'alpha-Ketoisovaleric acid', 'alpha-ketovaline', '2-oxoisovalerate', '2-Oxoisovaleric acid', 'Butanoic acid, 3-methyl-2-oxo-', 'Dimethylpyruvic acid', '2-ketovaline', '2-keto-3-methylbutyric acid', '2-Oxo-3-methylbutanoic acid', '3-methyl-2-oxobutanoate', 'Isopropylglyoxylic acid', 'KETOVALINE', '2-oxo-3-methylbutanoate', 'alpha-keto-isovaleric acid', 'alpha-oxoisovalerate', 'alpha-Oxoisovaleric acid', '2-oxoisopentanoate', '2-Oxo-3-methylbutyric acid', 'alpha-keto-valine', '2-Ketoisovalerate', '3-methyl-2-oxo-Butyric acid', 'alpha-oxo-beta-methylbutyricacid', '3-methyl-2-ketobutanoic acid', 'a-ketoisovaleric acid', 'KIV', '3-Methyl-2-oxobuttersaeure', 'Dimethylpyruvate', 'a-Oxoisovalerate', 'a-Ketoisovalerate', 'Isopropylglyoxylate', '(RS)-3-Methyl-2-oxobuttersaeure', 'a-keto-Isovalerate', 'a-Oxoisovaleric acid', 'Valine, 2-oxo-', '2-Ketoisvaleric acid', 'a-keto-Isovaleric acid', 'a-Oxo-b-methylbutyrate', 'a-keto-b-Methylbutyrate', '2-Oxo-3-methylbutyrate', '2-keto-3-Methylbutyrate', '3-Methyl-2-oxobutinoate', '2-Oxo-3-methyl-butyrate', '3-methyl-2-oxo-Butyrate', '3-METHYL-2-OXOBUTYRIC ACIDDISCONTINUED', '3-methyl-2-oxo-Butanoate', 'a-Oxo-b-methylbutyric acid', '3-Methyl-2-oxobutanoicacid', 'a-keto-b-Methylbutyric acid', '3-Methyl-2-oxobutinoic acid', 'alpha-Oxo-beta-methylbutyrate', '2-OXO-ISOVALERIC ACID', 'alpha-keto-beta-Methylbutyrate', '3-methyl-2-oxo butanoic acid', 'alpha-Oxo-beta-methylbutyric acid', 'QHKABHOOEWYVLI-UHFFFAOYSA-N', '.ALPHA.-OXOISOVALERIC ACID', 'alpha-keto-beta-Methylbutyric acid', '.ALPHA.-KETOISOVALERIC ACID', '.ALPHA.-KETO-ISOVALERIC ACID', '3-Methyl-2-oxobutanoic acid (Standard)', '3-METHYL-2-OXOBUTANOIC ACID [FHFI]', 'ALPHA-KETOISOVALERIC ACID; KETOVALINE', '.ALPHA.-OXO-.BETA.-METHYLBUTYRIC ACID'] |
50 | 2-keto-L-gluconate | C6H10O7 | 3,4,5,6-tetrahydroxy-2-oxohexanoic acid | InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13) | C(C(C(C(C(=O)C(=O)O)O)O)O)O | ['2-keto-L-gluconate', '2-Keto-L-galactonic acid', '3,4,5,6-tetrahydroxy-2-oxohexanoic acid', 'L-xylo-2-Hexulosonicacid, hydrate (9CI)', 'D-arabino-Hexulosonic acid', '(3R,4S,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid', 'Provitamin C', 'Gluconic acid, 2-oxo-', '2-keto-D-gluconate', '2-Ketoidonate', '2-Ketogluconsaure', 'Hex-2-ulosonic acid'] |
51 | 2-Oxoglutaric acid | C5H6O5 | 2-oxopentanedioic acid | InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10) | C(CC(=O)O)C(=O)C(=O)O | ['2-ketoglutaric acid', '2-Oxopentanedioic acid', '2-oxoglutaric acid', 'alpha-ketoglutaric acid', 'alpha-ketoglutarate', '2-oxoglutarate', 'Oxoglutaric acid', 'Oxoglutarate', 'alpha Ketoglutarate', '2-Oxo-1,5-pentanedioic acid', 'oxogluric acid', 'Pentanedioic acid, 2-oxo-', 'Alphaketoglutaric acid', 'alpha-Oxoglutaric acid', 'a-ketoglutaric acid', 'Oxoglurate', 'Glutaric acid, 2-oxo-', 'Glutaric acid, alpha keto', '2-ketoglutarate', '2-Oxo-Glutaric Acid', 'Pentanedioic acid, oxo-', 'ketoglutaric acid', 'Bis(L-arginin)-2-oxoglutarat', 'Oxoglurate [INN]', '.alpha.-Ketoglutaric acid', 'alpha-Ketoglutaric acid alpha', '2-oxo-pentanedioic acid', 'alpha-keto-Glutaric acid', '.alpha.-Oxoglutaric acid', 'Glutaric acid, 2-oxo- (8CI)', '2-oxopentanedionate', '2-Ketoglutaricacid', 'Pentanedioic acid, 2-oxo-, sodium salt', 'alpha ketoglutaric acid', 'AKG', '2-oxo-pentanedioicaci', 'alpha-Ketoglutaricum acidum', '3ouj', '4nro', '4oct', '4qkd', '4usi', 'keto glutaric acid', '2-oxoglutaric-acid', '.alpha.-ketoglutarate', 'alpha-oxo-glutaric acid', 'alpha -ketoglutaric acid', 'alpha-Oxopentanedioic acid', '2-Oxo-1,5-pentanedioate', 'ALFA-KETOGLUTARIC ACID', 'A-KETOGLUTARICUM ACIDUM', 'Glutaric acid, .alpha.-keto-', '2-Ketoglutaric acid (standard)', 'OXOGLURIC ACID [MART.]', 'OXOGLURIC ACID [WHO-DD]', 'Pentanedioic acid, 2-oxo- (9CI)', '2-OXOPENTANEDIOIC ACID [FHFI]', 'A-KETOGLUTARICUM ACIDUM [HPUS]', '.ALPHA.-KETOGLUTARIC ACID [MI]', 'alpha-Ketoglutaric acid, BioReagent, suitable for cell culture, suitable for insect cell culture'] |
52 | (2S,3R)-3-Hydroxy-2-methylbutanoyl-CoA | C26H44N7O18P3S | S-[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]ethyl] 3-hydroxy-2-methylbutanethioate | InChI=1S/C26H44N7O18P3S/c1-13(14(2)34)25(39)55-8-7-28-16(35)5-6-29-23(38)20(37)26(3,4)10-48-54(45,46)51-53(43,44)47-9-15-19(50-52(40,41)42)18(36)24(49-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-15,18-20,24,34,36-37H,5-10H2,1-4H3,(H,28,35)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42) | CC(C(C)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 | ['(2S,3R)-3-Hydroxy-2-methylbutanoyl-CoA'] |
53 | alphamethylacetoacetyl CoA | C26H42N7O18P3S | S-[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]ethyl] 2-methyl-3-oxobutanethioate | InChI=1S/C26H42N7O18P3S/c1-13(14(2)34)25(39)55-8-7-28-16(35)5-6-29-23(38)20(37)26(3,4)10-48-54(45,46)51-53(43,44)47-9-15-19(50-52(40,41)42)18(36)24(49-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-13,15,18-20,24,36-37H,5-10H2,1-4H3,(H,28,35)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42) | CC(C(=O)C)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 | ['alphamethylacetoacetyl CoA'] |
54 | S-[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]ethyl] 2-methylbutanethioate | C26H44N7O17P3S | S-[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]ethyl] 2-methylbutanethioate | InChI=1S/C26H44N7O17P3S/c1-5-14(2)25(38)54-9-8-28-16(34)6-7-29-23(37)20(36)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-19(49-51(39,40)41)18(35)24(48-15)33-13-32-17-21(27)30-12-31-22(17)33/h12-15,18-20,24,35-36H,5-11H2,1-4H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41) | CCC(C)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 | ['2-methylbutyryl-CoA'] |
55 | 3-(3,7,11,15,19,23,27,31-Octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)benzene-1,2-diol | C46H70O2 | 3-(3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)benzene-1,2-diol | InChI=1S/C46H70O2/c1-36(2)18-10-19-37(3)20-11-21-38(4)22-12-23-39(5)24-13-25-40(6)26-14-27-41(7)28-15-29-42(8)30-16-31-43(9)34-35-44-32-17-33-45(47)46(44)48/h17-18,20,22,24,26,28,30,32-34,47-48H,10-16,19,21,23,25,27,29,31,35H2,1-9H3 | CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1=C(C(=CC=C1)O)O)C)C)C)C)C)C)C)C | [] |
56 | 2-(3,7,11,15,19,23,27-Heptamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)-6-methoxyphenol | C46H70O2 | 2-(3,7,11,15,19,23,27-heptamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)-6-methoxyphenol | InChI=1S/C46H70O2/c1-10-11-12-20-37(2)21-13-22-38(3)23-14-24-39(4)25-15-26-40(5)27-16-28-41(6)29-17-30-42(7)31-18-32-43(8)35-36-44-33-19-34-45(48-9)46(44)47/h10-11,19,21,23,25,27,29,31,33-35,47H,12-18,20,22,24,26,28,30,32,36H2,1-9H3 | CC=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1=C(C(=CC=C1)OC)O)C)C)C)C)C)C)C | [] |
57 | 2-(3,7,11,15,19,23,27,31-Octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)phenol | C46H70O | 2-(3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)phenol | InChI=1S/C46H70O/c1-37(2)19-12-20-38(3)21-13-22-39(4)23-14-24-40(5)25-15-26-41(6)27-16-28-42(7)29-17-30-43(8)31-18-32-44(9)35-36-45-33-10-11-34-46(45)47/h10-11,19,21,23,25,27,29,31,33-35,47H,12-18,20,22,24,26,28,30,32,36H2,1-9H3 | CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1=CC=CC=C1O)C)C)C)C)C)C)C)C | [] |
58 | 2-Oxobutanoic acid | C4H6O3 | 2-oxobutanoic acid | InChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7) | CCC(=O)C(=O)O | ['2-oxobutanoic acid', '2-ketobutyric acid', '2-oxobutyric acid', 'alpha-ketobutyric acid', 'BUTANOIC ACID, 2-OXO-', '2-oxobutyrate', '3-Methylpyruvic acid', 'Ketobutyrate', 'Propionylformic acid', 'Butyric acid, 2-oxo-', '2-Ketobutanoic acid', 'Pyruvic acid, methyl-', 'Formic acid, propionyl-', 'alpha-Oxo-n-butyric acid', 'alpha-oxobutyric acid', '2-Oxo-n-butyric acid', '3-methyl pyruvic acid', 'alpha-ketobutyrate', '2-oxo-butyrate', 'a-Ketobutyric acid', '2-oxo-Butyric acid', '2-oxo-butanoic acid', 'alpha-Ketobutric acid', '.alpha.-Oxobutyric acid', '.alpha.-Ketobutyric acid', '2-keto-butyrate', 'alpha-Keto-n-butyric acid', '.alpha.-Oxo-n-butyric acid', '.alpha.-Ketobutric acid', '.alpha.-Keto-n-butyric acid', 'Butyric acid, 2-oxo- (8CI)', 'Butanoic acid, 2-oxo- (9CI)', '2-Ketobutanoate', '2KT', 'oxobutyric acid', 'a-Ketobutyrate', 'a-Oxobutyrate', 'propionyl-formate', '3-Methylpyruvate', '2-oxobutanoicacid', '2-Oxo-Butanoate', 'a-Oxobutyric acid', 'a-Oxo-n-butyrate', 'a-keto-n-Butyrate', '2-Oxo-n-butyrate', 'methyl pyruvic acid', 'methyl-Pyruvic acid', '?-Ketobutyric Acid', '.alpha.-Oxobutyrate', '2-keto-butyric acid', 'propionyl-formic acid', 'alpha-Oxo-n-butyrate', 'alpha-Keto-n-butyrate', 'a-Oxo-n-butyric acid', 'alpha-Oxobutanoic acid', 'a-keto-n-Butyric acid', '2-Oxobutanoic acid #', '4b5t', '2-Oxobutanoic acid (Standard)', '.ALPHA.-OXOBUTANOIC ACID', '2-OXOBUTYRIC ACID [FHFI]', '2-Oxobutyric acid, analytical standard'] |
59 | 2-Phosphoglyceric acid | C3H7O7P | 3-hydroxy-2-phosphonooxypropanoic acid | InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9) | C(C(C(=O)O)OP(=O)(O)O)O | ['2-phosphoglyceric acid', '2-phosphoglycerate', '3-hydroxy-2-phosphonooxypropanoic acid', 'glycerate 2-phosphate', 'DL-2-Phosphoglycerate', '2-P-glycerate', '2-P-D-glycerate', '3-hydroxy-2-(phosphonooxy)propanoic acid', '2-Phospho-DL-glyceric acid', 'Glyceric acid 2-phosphate', 'Glyceric acid-2-phosphate', 'L-2-Phosphoglyceric acid disodium salt hydrate', '2-P-glyceric acid', '2-P-D-glyceric acid', '2-pg', '2-(dihydrogen phosphate)Glycerate', '3-Hydroxy-2-phosphonooxypropanoate', '2-(dihydrogen phosphate)Glyceric acid', 'propanoic acid, 3-hydroxy-2-phosphonooxy-', 'Propanoic acid, 3-hydroxy-2-(phosphonooxy)', 'Propanoic acid, 3-hydroxy-2-(phosphonooxy)-', 'Glyceric acid, 2-(dihydrogen phosphate) (8CI)', 'Propanoic acid, 3-hydroxy-2-(phosphonooxy)- (9CI)', 'L-Glycerate2-phosphatedisodiumsalt,disodiuml-2-phosphoglycerate'] |
60 | [[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2,4-dihydroxy-3-methyl-3-phosphonooxybutyl) hydrogen phosphate | C14H26N3O17P3 | [[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2,4-dihydroxy-3-methyl-3-phosphonooxybutyl) hydrogen phosphate | InChI=1S/C14H26N3O17P3/c1-14(6-18,33-35(23,24)25)8(19)5-31-37(28,29)34-36(26,27)30-4-7-10(20)11(21)12(32-7)17-3-2-9(15)16-13(17)22/h2-3,7-8,10-12,18-21H,4-6H2,1H3,(H,26,27)(H,28,29)(H2,15,16,22)(H2,23,24,25) | CC(CO)(C(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O)O)OP(=O)(O)O | [] |
61 | 2,3-Diphosphoglyceric acid | C3H8O10P2 | 2,3-diphosphonooxypropanoic acid | 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) | C(C(C(=O)O)OP(=O)(O)O)OP(=O)(O)O | ['2,3-diphosphoglycerate', '2,3-Diphosphoglyceric acid', '2,3-diphosphonooxypropanoic acid', '2,3-Bisphosphoglyceric acid', '2,3-Bisphosphoglycerate', '2,3-Dpg', 'Diphosphoglyceric acid', 'Propanoic acid, 2,3-bis(phosphonooxy)-', '2,3-Diphospho-D-glyceric acid', 'Glycerate 2,3-diphosphate', '2,3 Bisphosphoglycerate', 'Glyceric acid, bis(dihydrogen phosphate)', 'Greenwald ester', '2,3-bis(phosphonooxy)propanoic acid', '2,3-BPG', 'D-Glyceric acid bis(dihydrogen phosphate)', 'Diphosphoglycerinsaure', '2,3-Bisphospho-glycerate', '2,3-Bisphosphoglycericacid', 'Glyceric acid-2,3-diphosphate', 'GLYCERIC ACID, DIPHOSPHATE', 'XOHUEYCVLUUEJJ-UHFFFAOYSA-N', 'Glyceric acid, diphosphate (6CI)', 'Glyceric acid, bis(dihydrogen phosphate) (8CI)', 'Propanoic acid, 2,3-bis(phosphonooxy)- (9CI)', 'Propanoic acid, 2,3-bis(phosphonooxy)-, (R)-', 'Glyceric acid, bis(dihydrogen phosphate), D- (8CI)', 'Propanoic acid, 2,3-bis(phosphonooxy)-, (2R)- (9CI)'] |
62 | 2,4,5-Trichlorocyclohexa-2,5-dien-1-ol | C6H5Cl3O | 2,4,5-trichlorocyclohexa-2,5-dien-1-ol | InChI=1S/C6H5Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-3,6,10H | C1=C(C(C=C(C1O)Cl)Cl)Cl | ['2,4,5-trichlorocyclohexa-2,5-dien-1-ol', '2,4,5-Trichloro-2,5-cyclohexadiene-1-ol', '1-Hydroxyl-2,4,5-trichloro-2,5-cyclohexadiene'] |
63 | 2,4-Diaminopentanoic acid | C5H12N2O2 | 2,4-diaminopentanoic acid | InChI=1S/C5H12N2O2/c1-3(6)2-4(7)5(8)9/h3-4H,2,6-7H2,1H3,(H,8,9) | CC(CC(C(=O)O)N)N | ['2,4-diaminopentanoic acid', '2.4-Diaminovaleriansaeure'] |
64 | 2,5-Dichloro-2,5-cyclohexadiene-1,4-diol | C6H6Cl2O2 | 2,5-dichlorocyclohexa-2,5-diene-1,4-diol | InChI=1S/C6H6Cl2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2,5-6,9-10H | C1=C(C(C=C(C1O)Cl)O)Cl | ['2,5-dichloro-2,5-cyclohexadiene-1,4-diol', '2,5-dichlorocyclohexa-2,5-diene-1,4-diol', '1,4-Dihydroxyl-2,5-dichloro-2,5-cyclohexadiene', '2,5-DDOL', '2,5-dichlorocyclohexa-2,5-dien-1,4-diol'] |
65 | 2,5-Dichlorohydroquinone | C6H4Cl2O2 | 2,5-dichlorobenzene-1,4-diol | InChI=1S/C6H4Cl2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2,9-10H | C1=C(C(=CC(=C1Cl)O)Cl)O | ['2,5-dichlorohydroquinone', '2,5-dichlorobenzene-1,4-diol', '1,4-Benzenediol, 2,5-dichloro-', '2,5-Dichloro-p-hydroquinone', 'Hydroquinone, 2,5-dichloro-', '2,5-Dichloro-1,4-hydroquinone', '2,5-Dichloro-p-benzohydroquinone', '2,5-DCHQ', '2,5-Dichloro-1,4-benzenediol', '2,5-Dichloro-1,4-dihydroxybenzene', '2,5-dichlorohydroquinol', '2,5-dichloro-p-quinol', '1,4-dihydroxy-2,5-dichlorobenzene', '2,4-hydroquinone', '2,4-dihydroxybenzene', '2.5-Dichlorohydroquinone', 'Hydroquinone,5-dichloro-'] |
66 | 2,5-Dichlorophenol | C6H4Cl2O | 2,5-dichlorophenol | InChI=1S/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H | C1=CC(=C(C=C1Cl)O)Cl | ['2,5-dichlorophenol', 'Phenol, 2,5-dichloro-', '2,5-DCP', '3,6-dichlorophenol', '2,5-dichloro-phenol', 'DICHLOROPHENOL, 2,5-', '2,5-DICHLOROPHENOL [HSDB]', 'Phenol, 2,5dichloro', '1Hydroxy2,5dichlorobenzene', '2,5-Dichlorohydroxybenzene', '1-Hydroxy-2,5-dichlorobenzene', '2,5DCP', '2,5-Dichlorophenol (ACD/Name 4.0)', '2,5-Dichlorophenol, analytical standard', '2,5-Dichlorophenol, PESTANAL(R), analytical standard'] |
67 | 2,5-Diketogluconsaure | C6H8O7 | 3,4,6-trihydroxy-2,5-dioxohexanoic acid | InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h3-4,7,9-10H,1H2,(H,12,13) | C(C(=O)C(C(C(=O)C(=O)O)O)O)O | ['2,5-Diketogluconsaure'] |
68 | 2-Methyl-butan-1,2,3,4-tetraol-2,4-cyclopyrophosphate | C5H12O9P2 | 2,4-dihydroxy-6-(hydroxymethyl)-6-methyl-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphocan-7-ol | InChI=1S/C5H12O9P2/c1-5(3-6)4(7)2-12-15(8,9)14-16(10,11)13-5/h4,6-7H,2-3H2,1H3,(H,8,9)(H,10,11) | CC1(C(COP(=O)(OP(=O)(O1)O)O)O)CO | ['Mbtcpp', '2-C-Methyl-D-erythritol-2,4-cyclopyrophosphate', '2-Methyl-butan-1,2,3,4-tetraol-2,4-cyclopyrophosphate', '2,4-dihydroxy-6-(hydroxymethyl)-6-methyl-2,4-dioxo-1,3,5,2lambda5,4lambda5-trioxadiphosphocan-7-ol', '2,4,7-Trihydroxy-6-methyl-1,3,5,2,4-trioxadiphosphene-6-methanol 2,4-dioxide', '2-C-Methyl-D-erythritol 1,2-cyclophosphate 4-phosphate', '1,3,5,2,4-Trioxadiphosphene-6-methanol, 2,4,7-trihydroxy-6-methyl-, 2,4-dioxide', '6-(hydroxymethyl)-6-methyl-1,3,5,2,4-trioxadiphosphocane-2,4,7-triol 2,4-dioxide'] |
69 | 2-Hydroxy-6-oxo-2,4-heptadienoic acid | C7H8O4 | 2-hydroxy-6-oxohepta-2,4-dienoic acid | InChI=1S/C7H8O4/c1-5(8)3-2-4-6(9)7(10)11/h2-4,9H,1H3,(H,10,11) | CC(=O)C=CC=C(C(=O)O)O | ['2-Hydroxy-6-oxo-2,4-heptadienoic acid', '2-hydroxy-6-oxohepta-2,4-dienoic acid', '2-hydroxy-6-keto-2,4 heptadienoic acid'] |
70 | 4-Methyl-2-oxopentanoic acid | C6H10O3 | 4-methyl-2-oxopentanoic acid | InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9) | CC(C)CC(=O)C(=O)O | ['4-methyl-2-oxopentanoic acid', '4-Methyl-2-oxovaleric acid', 'alpha-Ketoisocaproic acid', 'Ketoleucine', 'alpha-ketoisocaproate', '2-OXO-4-METHYLPENTANOIC ACID', '2-Oxoisocaproate', 'Pentanoic acid, 4-methyl-2-oxo-', '2-Oxoisocaproic acid', '4-methyl-2-oxopentanoate', '2-Oxoisohexanoate', '4-methyl-2-oxo-pentanoic acid', 'alpha-oxoisocaproate', 'alpha-Oxoisohexanoate', '2-Oxoleucine', '.alpha.-Ketoisocaproic acid', '2-KETOISOCAPROIC ACID', 'Isopropylpyruvic acid', '2-ketoisocaproate', '2-oxo-4-methylpentanoate', '2-keto-4-Methylvaleric acid', '2-Keto-4-methylpentanoic acid', '2-keto-4-Methylvalerate', 'ketoisocaproate', '2-keto-4-methyl-pentanoate', 'a-Ketoisocaproic acid', 'alpha-keto-isocaproic acid', '2-Oxo-4-methylvaleric acid', 'oxoisocaproate', 'a-Oxoisocaproate', 'Methyloxovalerate', 'a-Ketoisocaproate', 'oxoisocaproic acid', 'a-Ketoisocapronate', '4-Methyl-2-oxovaleric acid; 2-Oxoisocaproic acid; Isobutylglyoxylic acid; Ketoleucine', 'ketoisocaproic acid', 'methyloxovaleric acid', 'a-Oxoisocaproic acid', 'alpha-Ketoisocapronate', 'alpha-keto-isocaproate', 'a-Ketoisocapronic acid', '4h7q', 'alpha-Oxoisocaproic acid', '2-Oxo-4-methylvalerate', 'alpha-Ketoisocapronic acid', '4-methyl-2-oxo-Valerate', '4-methyl-2-oxopentanoicacid', '2K-4CH3-PENTANOATE', '4-methyl,2-oxopentanoic acid', '2-Methyl-5-oxopentanoic acid', '4-methyl-2-oxo-Valeric acid', '4-methyl-2-oxo pentanoic acid', '4-Methyl-2-oxopentanoic acid #', '4-Methyl-2-oxopentanoic acid (Standard)', '|A inverted exclamation mark-Ketoisocaproic acid'] |
71 | 2-Oxoadipic acid | C6H8O5 | 2-oxohexanedioic acid | InChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11) | C(CC(=O)C(=O)O)CC(=O)O | ['2-Oxoadipic acid', '2-Oxohexanedioic acid', 'alpha-Ketoadipic acid', 'Oxoadipic acid', '2-oxoadipate', 'Hexanedioic acid, 2-oxo-', '2-Ketoadipic acid', '2-Oxo-hexanedioic acid', 'Oxoadipate', '2-ketoadipate', 'alpha-Oxoadipic acid', '2-keto-adipate', '2-oxohexanedionic acid', '.alpha.-Ketoadipic acid', 'alpha-ketoadipate', 'a-oxoadipic acid', 'a-Ketoadipate', 'a-Oxoadipate', 'alpha-ketodipate', 'alpha-Oxoadipate', 'a-Ketoadipic acid', '2-Oxo-hexanedioate', 'OOG', '2-Oxohexanedioicacid', 'alpha-keto-adipic acid', '2-Oxohexanedioic acid #', 'Oxoadipic acid (Standard)', '.ALPHA.-OXOADIPIC ACID', 'HEXANEDIOIC ACID,2-OXO-', 'FGSBNBBHOZHUBO-UHFFFAOYSA-', 'Hexanedioic acid, 2-oxo- (7CI,8CI,9CI)'] |
72 | 3,4-Dihydroxybenzoic acid | C7H6O4 | 3,4-dihydroxybenzoic acid | InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11) | C1=CC(=C(C=C1C(=O)O)O)O | ['3,4-DIHYDROXYBENZOIC ACID', 'protocatechuic acid', 'Protocatehuic acid', '4-Carboxy-1,2-dihydroxybenzene', '4,5-Dihydroxybenzoic acid', 'Benzoic acid, 3,4-dihydroxy-', 'protocatechuate', 'protocatechuicacid', 'PROTOCATECHOIC ACID', 'PROTOCATECHUIC ACID (PCA)', 'DIHYDROXYBENZOIC ACID, 3,4-', '1ykp', '3,4-Dihydroxybenzoicacid', 'DROXIDOPA METABOLITE (PROTOCATECHOIC ACID)', '3, 4-Dihydroxybenzoic acid', '3,4-Dihydroxy Benzoic Acid', 'b-Resorcylate', 'beta-Resorcylate', 'ProtocatechicAcid', 'b-resorcylic acid', '4fht', 'Protacatechuic Acid', 'Protocatechuic Acid,(S)', 'Protocatechuic acid (M1)', '3,4-dihydroxy-benzoic acid', '3,4-dihydroxybenzoic acid (protocatechuic acid)', '3,4-Dihydroxybenzoate, VIII', 'Protocatechuic acid (Standard)', 'Pyrocatechol-4-carboxylic Acid', 'PROTOCATECHUIC ACID [MI]', '3,4-Dihydroxybenzoic acid, analytical standard', 'PROTOCATECHOIC ACID (CONSTITUENT OF MARITIME PINE)', 'Protocatechuic acid, primary pharmaceutical reference standard', 'PROTOCATECHOIC ACID (CONSTITUENT OF MARITIME PINE) [DSC]', 'Protocatechuic acid, United States Pharmacopeia (USP) Reference Standard'] |
73 | "Adenosine 3',5'-diphosphate" | C10H15N5O10P2 | [5-(6-aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate | InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22) | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)OP(=O)(O)O)O)N | ["Adenosine-3',5'-bisphosphate (pAp)", '"ADENOSINE 3\',5\'-DIPHOSPHATE"', '9-(3,5-Di-O-phosphonopentofuranosyl)-9H-purin-6-amine', 'Phosphoric acid mono-[5-(6-amino-purin-9-yl)-4-hydroxy-2-phosphonooxymethyl-tetrahydro-furan-3-yl] ester'] |
74 | S-Acetoacetate Coenzyme A | C25H40N7O18P3S | S-[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]ethyl] 3-oxobutanethioate | InChI=1S/C25H40N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-12,14,18-20,24,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41) | CC(=O)CC(=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 | ['3-oxobutanoyl-CoA', 'acetoacetyl-coenzyme a', 'S-Acetoacetate Coenzyme A'] |
75 | 3-Aminopropionaldehyde | C3H7NO | 3-aminopropanal | InChI=1S/C3H7NO/c4-2-1-3-5/h3H,1-2,4H2 | C(CN)C=O | ['3-Aminopropanal', '3-Aminopropionaldehyde', 'Propanal, 3-amino-', 'beta-Aminopropion aldehyde', 'Propanal, 3-amino-(9CI)', '.BETA.-AMINOPROPIONALDEHYDE', '3-APA', 'omega-aminoaldehydes', 'b-Aminopropion aldehyde', 'BETA-AMINOPROPIONALDEHYDE', 'PCXDJQZLDDHMGX-UHFFFAOYSA-N'] |
76 | 3-Hydroxyandrost-5-en-17-one | C19H28O2 | 3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one | 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/h3,13-16,20H,4-11H2,1-2H3 | CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O)C | ['ITdU'] |
77 | 2-Isopropylmalic acid | C7H12O5 | 2-hydroxy-2-propan-2-ylbutanedioic acid | InChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11) | CC(C)C(CC(=O)O)(C(=O)O)O | ['2-Isopropylmalic acid', '2-hydroxy-2-isopropylsuccinic acid', 'alpha-isopropylmalate', 'alpha-isopropylmalic acid', '2-hydroxy-2-propan-2-ylbutanedioic acid', '3-carboxy-3-hydroxyisocaproic acid', '2-Hydroxy-2-(1-methylethyl)butanedioic acid', '2-hydroxy-2-(propan-2-yl)butanedioic acid', 'A7T9UY4KVU', 'Malic acid, 2-isopropyl-', 'butanedioic acid, 2-hydroxy-2-(1-methylethyl)', '3-hydroxy-4-methyl-3-carboxypentanoate', '2-isopropylmalate', '3-carboxy-3-hydroxy-4-methylpentanoate', 'alpha-IPM', '2-HYDROXY-2-ISOPROPYLSUCCINICACID', 'UNII-A7T9UY4KVU', '.ALPHA.-ISOPROPYLMALATE', 'beta-hydroxy-beta-carboxy-isocaproic acid', '3-carboxy-3-hydroxy-4-methylpentanoic acid', 'Butanedioic acid, 2-hydroxy-2-(1-methylethyl)-'] |
78 | 3-Chloroalanine | C3H6ClNO2 | 2-amino-3-chloropropanoic acid | InChI=1S/C3H6ClNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7) | C(C(C(=O)O)N)Cl | ['2-amino-3-chloropropanoic acid', '3-Chloroalanine', 'beta-Chloroalanine', 'DL-3-Chloroalanine', '3-CHLORO-DL-ALANINE', 'beta-chloro-DL-alanine', 'Alanine, 3-chloro-', 'N-Chloroalanine', 'L-??Chloroalanine', 'H-beta-Chloro-Ala-OH', '(S)-2-Amino-3-chloropropionic Acid', '.beta.-Chloro-D-alanine', '2-amino-3-chloropropanoicacid', 'ASBJGPTTYPEMLP-UHFFFAOYSA-N', 'alanine, 3-chloro-, hydrochloride', 'alpha-Amino-beta-chlor-propionsaure', '(2S)-2-amino-3-chloropropanoicacid'] |
79 | 3-Cyanopyridine | C6H4N2 | pyridine-3-carbonitrile | InChI=1S/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H | C1=CC(=CN=C1)C#N | ['3-cyanopyridine', 'Nicotinonitrile', '3-PYRIDINECARBONITRILE', 'pyridine-3-carbonitrile', 'Nicotinic acid nitrile', '3-Pyridinenitrile', '3-Pyridylcarbonitrile', '3-Azabenzonitrile', '3-Cyjanopirydyna', 'Nitryl kwasu nikotynowego', 'Pyridine, 3-cyano-', '3-Cyjanopirydyna [Polish]', '3-Pyridinecarboxylic acid, nitrile', 'Nitryl kwasu nikotynowego [Polish]', '3-cyano pyridine', '3-Pyridyl cyanide', 'PncA Inhibitor, 5', '3-PYRIDINECARBONITRILE [HSDB]', '3-Pyridinecarbonitrile; Nicotinonitrile', 'InChI=1/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5'] |
80 | 4,5-Dihydroxy-3-oxocyclohexene-1-carboxylic acid | C7H8O5 | 4,5-dihydroxy-3-oxocyclohexene-1-carboxylic acid | InChI=1S/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,5-6,9-10H,2H2,(H,11,12) | C1C(C(C(=O)C=C1C(=O)O)O)O | ['4,5-dihydroxy-3-oxocyclohexene-1-carboxylic acid', '4,5-Dihydroxy-3-oxo-1-cyclohexene-1-carboxylic acid'] |
81 | 4,5,6-Trihydroxy-2-oxo-7-phosphonooxyheptanoic acid | C7H13O10P | 4,5,6-trihydroxy-2-oxo-7-phosphonooxyheptanoic acid | InChI=1S/C7H13O10P/c8-3(1-4(9)7(12)13)6(11)5(10)2-17-18(14,15)16/h3,5-6,8,10-11H,1-2H2,(H,12,13)(H2,14,15,16) | C(C(C(C(COP(=O)(O)O)O)O)O)C(=O)C(=O)O | [] |
82 | 1-Cyclohexene-1-carboxylic acid, 5-((1-carboxyethenyl)oxy)-4-hydroxy-3-(phosphonooxy)- | C10H13O10P | 5-(1-carboxyethenoxy)-4-hydroxy-3-phosphonooxycyclohexene-1-carboxylic acid | InChI=1S/C10H13O10P/c1-4(9(12)13)19-6-2-5(10(14)15)3-7(8(6)11)20-21(16,17)18/h3,6-8,11H,1-2H2,(H,12,13)(H,14,15)(H2,16,17,18) | C=C(C(=O)O)OC1CC(=CC(C1O)OP(=O)(O)O)C(=O)O | ['1-Cyclohexene-1-carboxylic acid, 5-((1-carboxyethenyl)oxy)-4-hydroxy-3-(phosphonooxy)-', '5-(1-carboxyethenoxy)-4-hydroxy-3-phosphonooxycyclohexene-1-carboxylic acid', '5-Epsp', '5-Enolpyruvoylshikimate-3-phosphate', '5-[(1-Carboxyethenyl)oxy]-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid'] |
83 | 3-Hydroxyphosphonoyl-2-oxopropanoic acid | C3H5O5P | 3-hydroxyphosphonoyl-2-oxopropanoic acid | InChI=1S/C3H5O5P/c4-2(3(5)6)1-9(7)8/h9H,1H2,(H,5,6)(H,7,8) | C(C(=O)C(=O)O)P(=O)O | [] |
84 | S-(Hydrogen 3-hydroxy-3-methylglutaryl)coenzyme A | C27H44N7O20P3S | 5-[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]-3-hydroxy-3-methyl-5-oxopentanoic acid | InChI=1S/C27H44N7O20P3S/c1-26(2,21(40)24(41)30-5-4-15(35)29-6-7-58-17(38)9-27(3,42)8-16(36)37)11-51-57(48,49)54-56(46,47)50-10-14-20(53-55(43,44)45)19(39)25(52-14)34-13-33-18-22(28)31-12-32-23(18)34/h12-14,19-21,25,39-40,42H,4-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45) | CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(C)(CC(=O)O)O)O | ['HMG-CoA', 'S-(Hydrogen 3-hydroxy-3-methylglutaryl)coenzyme A', 'Coenzyme A, S-(hydrogen 3-hydroxy-3-methylpentanedioate)', '3-Hydroxy-3-methylglutaryl CoA', 'CABVTRNMFUVUDM-UHFFFAOYSA-N', 'DL-3-Hydroxy-3-methylglutaryl coenzyme A', 'Coenzyme A, S-(hydrogen 3-hydroxy-3-methylglutarate)'] |
85 | 3-Hydroxy-4-trimethylammoniobutanoate | C7H16NO3+ | (3-carboxy-2-hydroxypropyl)-trimethylazanium | InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/p+1 | C[N+](C)(C)CC(CC(=O)O)O | ['Carnitine', 'carnitinium', 'Carnitina', '3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium', 'Carnitinum [INN-Latin]', 'Carnitina [INN-Spanish]', '1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, inner salt', '3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride', '1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, chloride', 'gamma-Trimethyl-hydroxybutyrobetaine', '3-hydroxy-4-trimethylammoniobutanoate', 'Entomin', '(3-Carboxy-2-hydroxypropyl)trimethylammonium hydroxide inner salt', '3-hydroxy-4-(trimethylammonio)butanoic acid'] |
86 | 3-Hydroxyanthranilic Acid | C7H7NO3 | 2-amino-3-hydroxybenzoic acid | InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11) | C1=CC(=C(C(=C1)O)N)C(=O)O | ['2-Amino-3-hydroxybenzoic acid', '3-Hydroxyanthranilic acid', '3-Oxyanthranilic acid', '2-AMINO-3-HYDROXY-BENZOIC ACID', '3-hydroxyanthranilate', 'Anthranilic acid, 3-hydroxy-', 'Benzoic acid, 2-amino-3-hydroxy-', '3-Ohaa', '3-Hydroxy-anthranilsaeure', '3-oh-anthranilic acid', '3-Hydroxy-anthranilsaeure [German]', '3-hydroxy-anthranilate', 'UNII-1UQB1BT4OT', '3-Oxyanthranilate', '3-hydroxanthranilate', '3-hydroxyantranilic acid', '3-Hydroxy anthranilic acid', '1UQB1BT4OT', '3-Hydroxy-2-aminobenzoate', '3-hydroxy-Anthranilic acid', '2-amino-3-hydroxy-Benzoate', '3-Hydroxy-2-aminobenzoic acid', '2-AMINO-3-HYDROXY-BENZOIC ACID [HSDB]', '3 Hydroxyanthranilic Acid', 'Acid, 3-Hydroxyanthranilic', '1u1w', 'WLN: ZR BQ FVQ', '3-HAA, 3-HANA', '2-Aminobenzoic acid, 3-hydroxy-', '2-AMINO-3-HYDROXYBENZOICACID', '3-Hydroxyanthranilic acid (Standard)', 'Anthranilic acid, 3-hydroxy- (8CI)', 'Benzoic acid, 2-amino-3-hydroxy-, hydrochloride'] |
87 | 3-Hydroxyisobutyric acid | C4H8O3 | 3-hydroxy-2-methylpropanoic acid | InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7) | CC(CO)C(=O)O | ['3-Hydroxyisobutyric acid', '3-Hydroxy-2-methylpropanoic acid', 'rac 3-Hydroxyisobutyric Acid', 'propanoic acid, 3-hydroxy-2-methyl-', '2-Methyl-3-hydroxypropanoic Acid', 'beta-hydroxyisobutyric acid', '3-Hydroxyisobutyrate', 'DL-3-Hydroxyisobutyric Acid', '.BETA.-HYDROXYISOBUTYRIC ACID', '(2S)-3-Hydroxy-2-methyl-propanoic acid', '3-Hydroxy-2-methyl propanoic acid', 'rac 3-Hydroxyisobutyric Acid Sodium Salt', '(+/-)-3-HYDROXY-2-METHYLPROPANOIC ACID', '3-Hydroxyisobutyric acid pound>>3-Hydroxy-2-methylpropanoic acid'] |
88 | 3-Hydroxyisobutyryl-CoA | C25H42N7O18P3S | S-[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]ethyl] 3-hydroxy-2-methylpropanethioate | InChI=1S/C25H42N7O18P3S/c1-13(8-33)24(38)54-7-6-27-15(34)4-5-28-22(37)19(36)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-18(49-51(39,40)41)17(35)23(48-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,33,35-36H,4-10H2,1-3H3,(H,27,34)(H,28,37)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41) | CC(CO)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 | ['3-Hydroxyisobutyryl-CoA', '3-hydroxy-isobutyryl-CoA', '3-hydroxy-isobutyryl-coenzyme A', '3-hydroxyisobutyryl-Coenzyme A', '3-Hydroxy-2-methylpropanoyl-Coenzyme A', '3-Hydroxy-2-methylpropionyl-Coenzyme A'] |
89 | 3-Hydroxykynurenine | C10H12N2O4 | 2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid | InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16) | C1=CC(=C(C(=C1)O)N)C(=O)CC(C(=O)O)N | ['3-Hydroxy-dl-kynurenine', '3-Hydroxykynurenine', 'Hydroxykynurenine', '2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid', 'dl-3-Hydroxykynurenine', 'Kynurenine, 3-hydroxy-', '3-(3-Hydroxyanthraniloyl)alanine', 'DL-3-Hydroxykyunrenine', 'Hydroxykinurenine', 'OH-Kynurenine', '3-(3-hydroxyanthraniloyl)-alanine', 'ALANINE, 3-(3-HYDROXYANTHRANILOYL)-', 'Kynurenine, 3-hydroxy (R,S)', 'Benzenebutanoic acid, alpha,2-diamino-3-hydroxy-gamma-oxo-', '3-(2-amino-3-hydroxybenzoyl)alanine', '.alpha.,2-Diamino-3-hydroxy-.gamma.-oxobenzenebutanoic acid', '2-Amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoicacid', 'alpha,2-Diamino-3-hydroxy-gamma-oxobenzenebutanoic acid', 'Benzenebutanoic acid, .alpha.,2-diamino-3-hydroxy-.gamma.-oxo-', 'rac 3-Hydroxy Kynurenine Hydrochloride Salt', 'a,2-Diamino-3-hydroxy-?-oxo-benzenebutanoic acid; 3-(3-Hydroxyanthraniloyl)-alanine; 3-Hydroxykynurenine', 'WLN: ZR BQ FV1YZVQ', '3-Hydroxykynurenine (Standard)', '2-Amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoate', 'Benzenebutanoic acid,2-diamino-3-hydroxy-.gamma.-oxo-', 'Benzenebutanoic acid, alpha,2-diamino-3-hydroxy-gamma-oxo-(9CI)', '2-azanyl-4-(2-azanyl-3-oxidanyl-phenyl)-4-oxidanylidene-butanoic acid'] |
90 | 3-hydroxyhexanedioyl-CoA | C27H44N7O20P3S | 6-[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]-4-hydroxy-6-oxohexanoic acid | InChI=1S/C27H44N7O20P3S/c1-27(2,22(41)25(42)30-6-5-16(36)29-7-8-58-18(39)9-14(35)3-4-17(37)38)11-51-57(48,49)54-56(46,47)50-10-15-21(53-55(43,44)45)20(40)26(52-15)34-13-33-19-23(28)31-12-32-24(19)34/h12-15,20-22,26,35,40-41H,3-11H2,1-2H3,(H,29,36)(H,30,42)(H,37,38)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45) | CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(CCC(=O)O)O)O | ['3-hydroxyhexanedioyl-CoA'] |
91 | 3-(3-Hydroxyphenyl)propanoic acid | C9H10O3 | 3-(3-hydroxyphenyl)propanoic acid | InChI=1S/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12) | C1=CC(=CC(=C1)O)CCC(=O)O | ['3-(3-hydroxyphenyl)propanoic acid', '3-(3-hydroxyphenyl)propionic acid', 'Benzenepropanoic acid, 3-hydroxy-', 'Dihydro-3-coumaric acid', '3-Hydroxybenzenepropanoic acid', '3-(m-Hydroxyphenyl)propionic acid', 'm-hydroxyphenylpropionic acid', '3-Hydroxyphenylpropionic acid', 'HYDROCINNAMIC ACID, m-HYDROXY-', '3-hydroxyhydrocinnamic acid', 'm-hydrocoumaric acid', 'beta-(m-Hydroxyphenyl)propionic acid', 'Dihydro-m-coumaric acid', 'beta-(3-Hydroxyphenyl)propionic acid', '.beta.-(m-Hydroxyphenyl)propionic acid', '3-Hydroxyphenylpropanoate', '.beta.-(3-Hydroxyphenyl)propionic acid', '3-Hydroxydihydrocinnamic acid', '3-hydroxy-benzenepropanoic acid', '3-(3-hydroxy-phenyl)-propionic acid', '3-(3-Hydroxy-phenyl)-propanoic acid', 'm-hydroxy-hydrocinnamic acid', 'Dihydro-m-coumarate', 'm-hydroxy-Hydrocinnamate', '3-Hydroxydihydrocinnamate', '3-Hydroxyphenylpropionate', '3-Hydroxybenzenepropanoate', 'b-(m-Hydroxyphenyl)propionate', '3-(m-Hydroxyphenyl)propionate', 'b-(3-Hydroxyphenyl)propionate', 'beta-(m-Hydroxyphenyl)propionate', 'beta-(3-Hydroxyphenyl)propionate', '3-(3-hydroxyphenyl)propanoicacid', '3-(3-Hydroxy-phenyl)-propanoate', 'b-(m-Hydroxyphenyl)propionic acid', 'b-(3-Hydroxyphenyl)propionic acid', "3-(3'-hydroxyphenyl)propionic acid", '3-(3-hydroxyphenyl)-propionic acid'] |
92 | (-)-(3S)-3-Hydroxy Quinine-vinyl-d3 | C20H24N2O3 | 3-ethenyl-6-[hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-ol | InChI=1S/C20H24N2O3/c1-3-20(24)12-22-9-7-13(20)10-18(22)19(23)15-6-8-21-17-5-4-14(25-2)11-16(15)17/h3-6,8,11,13,18-19,23-24H,1,7,9-10,12H2,2H3 | COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4(C=C)O)O | ['(-)-(3S)-3-Hydroxy Quinine-vinyl-d3', "6'-Methoxycinchonan-3,9-diol"] |
93 | 3-Oxoadipic acid | C6H8O5 | 3-oxohexanedioic acid | InChI=1S/C6H8O5/c7-4(3-6(10)11)1-2-5(8)9/h1-3H2,(H,8,9)(H,10,11) | C(CC(=O)O)C(=O)CC(=O)O | ['3-oxohexanedioic acid', '3-Oxoadipic acid', 'BETA-KETOADIPIC ACID', 'beta-ketoadipate', 'beta-Oxoadipic acid', '3-Ketoadipic', '3-ketoadipate', 'Hexanedioic acid, 3-oxo-', '3-Ketoadipic acid', '3-oxo-adipic acid', '3-keto-adipate', '3-oxo-hexanedioic acid', '.beta.-Ketoadipic acid', 'b-oxoadipic acid', 'beta-Oxoadipate', 'b-Ketoadipate', 'b-Oxoadipate', 'b-Ketoadipic acid', '.BETA.-OXOADIPIC ACID', 'RTGHRDFWYQHVFW-UHFFFAOYSA-N'] |
94 | CID94; (Acyl-CoA); [M+H]+ | C27H42N7O20P3S | 6-[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]-4,6-dioxohexanoic acid | InChI=1S/C27H42N7O20P3S/c1-27(2,22(41)25(42)30-6-5-16(36)29-7-8-58-18(39)9-14(35)3-4-17(37)38)11-51-57(48,49)54-56(46,47)50-10-15-21(53-55(43,44)45)20(40)26(52-15)34-13-33-19-23(28)31-12-32-24(19)34/h12-13,15,20-22,26,40-41H,3-11H2,1-2H3,(H,29,36)(H,30,42)(H,37,38)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45) | CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCC(=O)O)O | [] |
95 | 2,4,5,6-Tetrahydroxy-3-oxohexanoic acid | C6H10O7 | 2,4,5,6-tetrahydroxy-3-oxohexanoic acid | InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,5,7-9,11H,1H2,(H,12,13) | C(C(C(C(=O)C(C(=O)O)O)O)O)O | [] |
96 | Acetoacetic acid | C4H6O3 | 3-oxobutanoic acid | InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7) | CC(=O)CC(=O)O | ['acetoacetic acid', '3-oxobutanoic acid', '3-oxobutyric acid', 'acetoacetate', '3-ketobutyrate', 'beta-ketobutyric acid', 'Butanoic acid, 3-oxo-', 'diacetic acid', 'oxobutyrate', '3-Ketobutyric acid', '3-oxo-butanoic acid', 'diacetate', 'acetylacetic acid', '3-OXO-BUTYRIC ACID', '3-ketobutanoic acid', '3-oxobutanate', '3-oxobutanoicacid', 'Acetoacitic acid', 'AAE', '3-Oxobutyrate', 'lithium-acetoacetate', 'acetonecarboxylic acid', '.ALPHA.-KETOBUTYRATE', 'ACETOACETIC ACID [MI]', 'WDJHALXBUFZDSR-UHFFFAOYSA-N'] |
97 | 3,5-Dihydroxy-2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-one | C12H20O11 | 3,5-dihydroxy-2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-one | InChI=1S/C12H20O11/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/h3-5,7-15,17-20H,1-2H2 | C(C1C(C(C(C(O1)O)O)O)OC2C(C(=O)C(C(O2)CO)O)O)O | [] |
98 | 3-Mercaptopyruvic acid | C3H4O3S | 2-oxo-3-sulfanylpropanoic acid | InChI=1S/C3H4O3S/c4-2(1-7)3(5)6/h7H,1H2,(H,5,6) | C(C(=O)C(=O)O)S | ['3-mercaptopyruvic acid', '2-oxo-3-sulfanylpropanoic acid', '3-mercaptopyruvate', 'mercaptopyruvate', 'beta-mercaptopyruvate', 'propanoic acid, 3-mercapto-2-oxo-', 'Mercaptopyruvic acid', 'beta-Thiopyruvic acid', '3-Mercapto-2-oxopropanoic acid', 'beta-Mercaptopyruvic acid', 'beta-thiopyruvate', 'Pyruvic acid, 3-mercapto-', '5Z1F5OW4YB', '3-mercapto-pyruvic acid', 'UNII-5Z1F5OW4YB', '3-MERCAPTO-PYRUVATE', 'thiopyruvate', '2-oxo-3-sulfanylpropanoicacid', '.BETA.-THIOPYRUVIC ACID', 'PYRUVIC ACID, MERCAPTO-', 'beta-3-mercapto-2-oxo-propanoate', 'OJOLFAIGOXZBCI-UHFFFAOYSA-N', 'beta-3-mercapto-2-oxo-propanoic acid', '3-MERCAPTO-2-OXOPROPIONIC ACID', 'Pyruvic acid, mercapto- (6CI,7CI,8CI)', 'Propanoic acid, 3-mercapto-2-oxo- (9CI)'] |
99 | 3-Methylcrotonyl CoA | C26H42N7O17P3S | S-[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]ethyl] 3-methylbut-2-enethioate | InChI=1S/C26H42N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h9,12-13,15,19-21,25,36-37H,5-8,10-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41) | CC(=CC(=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)C | ['3-Methylcrotonyl CoA', '.beta.-Methylcrotonyl CoA', '.beta.-Methylcrotonyl coenzyme A', 'Coenzyme A, S-(3-methyl-2-butenoate)', 'beta-Methylcrotonyl CoA'] |
100 | 4-Hydroxy-3-(3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)benzoic acid | C47H70O3 | 4-hydroxy-3-(3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)benzoic acid | InChI=1S/C47H70O3/c1-36(2)17-10-18-37(3)19-11-20-38(4)21-12-22-39(5)23-13-24-40(6)25-14-26-41(7)27-15-28-42(8)29-16-30-43(9)31-32-44-35-45(47(49)50)33-34-46(44)48/h17,19,21,23,25,27,29,31,33-35,48H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,49,50) | CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1=C(C=CC(=C1)C(=O)O)O)C)C)C)C)C)C)C)C | [] |
End of preview. Expand
in Data Studio
README.md exists but content is empty.
- Downloads last month
- 18