 | | CLH | | Name: | 2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-ACETYLAMINO]-HEXANOIC ACID | | Formula: | C10 H17 N3 O5 | | SMILES: | O=CC(=O)NCC(=O)NCCCCC(N)C(=O)O | | InChi: | InChI=1S/C10H17N3O5/c11-7(10(17)18)3-1-2-4-12-8(15)5-13-9(16)6-14/h6-7H,1-5,11H2,(H,12,15)(H,13,16)(H,17,18)/t7-/m0/s1 | | Definition date: | 2001-10-05 | | Last modified: | 2024-09-27 | | Identifier: | N~6~-[N-(oxoacetyl)glycyl]-L-lysine |
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 | | CLR | | Name: | CHOLESTEROL | | Formula: | C27 H46 O | | SMILES: | OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C | | InChi: | InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1 | | Definition date: | 2002-05-16 | | Last modified: | 2024-09-27 | | Identifier: | (3beta,14beta,17alpha)-cholest-5-en-3-ol |
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 | | CL | | Name: | CHLORIDE ION | | Formula: | Cl | | SMILES: | [Cl-] | | InChi: | InChI=1S/ClH/h1H/p-1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | chloride |
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 | | CLV | | Name: | {(2S)-2-[(1S)-1-AMINOETHYL]-5-OXO-2,5-DIHYDRO-1H-IMIDAZOL-1-YL}ACETIC ACID | | Formula: | C7 H11 N3 O3 | | SMILES: | O=C1C=NC(N1CC(=O)O)C(N)C | | InChi: | InChI=1S/C7H11N3O3/c1-4(8)7-9-2-5(11)10(7)3-6(12)13/h2,4,7H,3,8H2,1H3,(H,12,13)/t4-,7-/m0/s1 | | Synonyms: | CHROMOPHORE (ALA-PHE-GLY) | | Definition date: | 2007-03-22 | | Last modified: | 2024-09-27 | | Identifier: | {(2S)-2-[(1S)-1-aminoethyl]-5-oxo-2,5-dihydro-1H-imidazol-1-yl}acetic acid |
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 | | CLX | | Name: | TRI-CHLORO-ACETALDEHYDE | | Formula: | C2 H Cl3 O | | SMILES: | ClC(Cl)(Cl)C=O | | InChi: | InChI=1S/C2HCl3O/c3-2(4,5)1-6/h1H | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | trichloroacetaldehyde |
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 | | RQT | | Name: | ~{N}-[3-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanamide | | Formula: | C16 H15 N3 O | | SMILES: | CCC(=O)Nc1cccc(c1)c2c[nH]c3ncccc23 | | InChi: | InChI=1S/C16H15N3O/c1-2-15(20)19-12-6-3-5-11(9-12)14-10-18-16-13(14)7-4-8-17-16/h3-10H,2H2,1H3,(H,17,18)(H,19,20) | | Definition date: | 2020-10-20 | | Last modified: | 2024-09-27 | | Release date: | 2020-12-02 | | Identifier: | ~{N}-[3-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanamide |
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 | | RQZ | | Name: | 3-[3-(propanoylamino)phenyl]-1~{H}-pyrrolo[2,3-b]pyridine-5-carboxamide | | Formula: | C17 H16 N4 O2 | | SMILES: | CCC(=O)Nc1cccc(c1)c2c[nH]c3ncc(cc23)C(N)=O | | InChi: | InChI=1S/C17H16N4O2/c1-2-15(22)21-12-5-3-4-10(6-12)14-9-20-17-13(14)7-11(8-19-17)16(18)23/h3-9H,2H2,1H3,(H2,18,23)(H,19,20)(H,21,22) | | Definition date: | 2020-10-20 | | Last modified: | 2024-09-27 | | Release date: | 2020-12-02 | | Identifier: | 3-[3-(propanoylamino)phenyl]-1~{H}-pyrrolo[2,3-b]pyridine-5-carboxamide |
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 | | CMC | | Name: | CARBOXYMETHYL COENZYME *A | | Formula: | C23 H38 N7 O18 P3 S | | SMILES: | O=C(O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O | | InChi: | InChI=1S/C23H38N7O18P3S/c1-23(2,18(35)21(36)26-4-3-13(31)25-5-6-52-8-14(32)33)9-45-51(42,43)48-50(40,41)44-7-12-17(47-49(37,38)39)16(34)22(46-12)30-11-29-15-19(24)27-10-28-20(15)30/h10-12,16-18,22,34-35H,3-9H2,1-2H3,(H,25,31)(H,26,36)(H,32,33)(H,40,41)(H,42,43)(H2,24,27,28)(H2,37,38,39)/t12-,16-,17-,18+,22-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (3S,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphaicosan-20-oic acid 3,5-dioxide (non-preferred name) |
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 | | CME | | Name: | S,S-(2-HYDROXYETHYL)THIOCYSTEINE | | Formula: | C5 H11 N O3 S2 | | SMILES: | O=C(O)C(N)CSSCCO | | InChi: | InChI=1S/C5H11NO3S2/c6-4(5(8)9)3-11-10-2-1-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 3-[(2-hydroxyethyl)disulfanyl]-L-alanine |
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 | | CMH | | Name: | S-(METHYLMERCURY)-L-CYSTEINE | | Formula: | C4 H9 Hg N O2 S | | SMILES: | O=C(O)C(N)CS[Hg]C | | InChi: | InChI=1S/C3H7NO2S.CH3.Hg/c4-2(1-7)3(5)6 | | Definition date: | 2004-10-29 | | Last modified: | 2024-09-27 | | Identifier: | (L-cysteinato-kappaS~3~)(methyl)mercury |
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 | | CML | | Name: | (2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acid | | Formula: | C7 H11 N O6 S | | SMILES: | O=C(O)C(N)CSC(C(=O)O)CC(=O)O | | InChi: | InChI=1S/C7H11NO6S/c8-3(6(11)12)2-15-4(7(13)14)1-5(9)10/h3-4H,1-2,8H2,(H,9,10)(H,11,12)(H,13,14)/t3-,4-/m0/s1 | | Definition date: | 2007-10-11 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acid |
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 | | CMQ | | Name: | N~2~-[(BENZYLOXY)CARBONYL]-N-[(1S,2S)-2-HYDROXY-1-(4-HYDROXYBENZYL)PROPYL]-L-LEUCINAMIDE | | Formula: | C24 H32 N2 O5 | | SMILES: | O=C(OCc1ccccc1)NC(C(=O)NC(Cc2ccc(O)cc2)C(O)C)CC(C)C | | InChi: | InChI=1S/C24H32N2O5/c1-16(2)13-22(26-24(30)31-15-19-7-5-4-6-8-19)23(29)25-21(17(3)27)14-18-9-11-20(28)12-10-18/h4-12,16-17,21-22,27-28H,13-15H2,1-3H3,(H,25,29)(H,26,30)/t17-,21-,22-/m0/s1 | | Definition date: | 2006-02-16 | | Last modified: | 2024-09-27 | | Identifier: | N~2~-[(benzyloxy)carbonyl]-N-[(1S,2S)-2-hydroxy-1-(4-hydroxybenzyl)propyl]-L-leucinamide |
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 | | CMT | | Name: | O-METHYLCYSTEINE | | Formula: | C4 H9 N O2 S | | SMILES: | O=C(OC)C(N)CS | | InChi: | InChI=1S/C4H9NO2S/c1-7-4(6)3(5)2-8/h3,8H,2,5H2,1H3/t3-/m0/s1 | | Definition date: | 2000-01-19 | | Last modified: | 2024-09-27 | | Identifier: | methyl L-cysteinate |
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 | | CMV | | Name: | (2R,4S)-2-[(1R)-1-({(2R)-2-[(4-ethyl-2,3-dioxopiperazin-1-yl)amino]-2-phenylacetyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | | Formula: | C22 H29 N5 O6 S | | SMILES: | O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)NN3C(=O)C(=O)N(CC)CC3 | | InChi: | InChI=1S/C22H29N5O6S/c1-4-26-10-11-27(20(31)19(26)30)25-15(13-8-6-5-7-9-13)17(29)23-14(12-28)18-24-16(21(32)33)22(2,3)34-18/h5-9,12,14-16,18,24-25H,4,10-11H2,1-3H3,(H,23,29)(H,32,33)/t14-,15-,16+,18-/m1/s1 | | Definition date: | 2009-07-02 | | Last modified: | 2024-09-27 | | Identifier: | (2R,4S)-2-[(1R)-1-({(2R)-2-[(4-ethyl-2,3-dioxopiperazin-1-yl)amino]-2-phenylacetyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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 | | RRV | | Name: | (2R)-2,4-dihydroxy-N-[(3S)-3-hydroxy-4-phenylbutyl]-3,3-dimethylbutanamide | | Formula: | C16 H25 N O4 | | SMILES: | O=C(NCCC(O)Cc1ccccc1)C(O)C(C)(C)CO | | InChi: | InChI=1S/C16H25NO4/c1-16(2,11-18)14(20)15(21)17-9-8-13(19)10-12-6-4-3-5-7-12/h3-7,13-14,18-20H,8-11H2,1-2H3,(H,17,21)/t13-,14+/m1/s1 | | Definition date: | 2014-04-11 | | Last modified: | 2024-09-27 | | Release date: | 2014-12-10 | | Identifier: | (2R)-2,4-dihydroxy-N-[(3S)-3-hydroxy-4-phenylbutyl]-3,3-dimethylbutanamide |
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 | | CNC | | Name: | CYANOCOBALAMIN | | Formula: | C63 H89 Co N14 O14 P | | SMILES: | NC(=O)CC1(C)C2=C(C)C=3C(CCC(N)=O)C(C)(CC(N)=O)C4(C)N=3[Co+2]35(C#N)N2=C(C=C2n3c(C(CCC(N)=O)C2(C)C)c(C)c2n5C4C(CC(N)=O)C2(C)CCC(=O)NCC(C)OP(=O)(O)OC2C(CO)OC(n3cnc4cc(C)c(C)cc43)C2O)C1CCC(N)=O | | InChi: | InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (cyanido-kappaC)[5-(5,6-dimethyl-1H-benzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl 1-{3-[3,14,19-tris(2-amino-2-oxoethyl)-8,13,18-tris(3-amino-3-oxopropyl)-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1~2,5~.1~7,10~.1~12,15~]tricosa-5,7(22),10,12(21),15,17(20)-hexaen-4-yl-kappa~4~N~20~,N~21~,N~22~,N~23~]propanamido}propan-2-yl hydrogenato phosphate]cobalt(2+) (non-preferred name) |
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 | | CNE | | Name: | (3S)-5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-3-{[N-({2-ETHOXY-5-[(1E)-3-METHOXY-3-OXOPROP-1-ENYL]PHENYL}ACETYL)-D-VALYL]AMINO}-4-OXOPENTANOIC ACID | | Formula: | C31 H36 Cl F N2 O8 S | | SMILES: | Clc1cccc(F)c1CSCC(=O)C(NC(=O)C(NC(=O)Cc2cc(C=CC(=O)OC)ccc2OCC)C(C)C)CC(=O)O | | InChi: | InChI=1S/C31H36ClFN2O8S/c1-5-43-26-11-9-19(10-12-29(40)42-4)13-20(26)14-27(37)35-30(18(2)3)31(41)34-24(15-28(38)39)25(36)17-44-16-21-22(32)7-6-8-23(21)33/h6-13,18,24,30H,5,14-17H2,1-4H3,(H,34,41)(H,35,37)(H,38,39)/b12-10+/t24-,30-/m0/s1 | | Definition date: | 2003-11-24 | | Last modified: | 2024-09-27 | | Identifier: | (3S)-5-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-{[N-({2-ethoxy-5-[(1E)-3-methoxy-3-oxoprop-1-en-1-yl]phenyl}acetyl)-L-valyl]amino}-4-oxopentanoic acid |
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 | | RSH | | Name: | 3-DEOXY-D-LYXO-HEXONIC ACID | | Formula: | C6 H12 O6 | | SMILES: | O=C(O)C(O)CC(O)C(O)CO | | InChi: | InChI=1S/C6H12O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3-5,7-10H,1-2H2,(H,11,12)/t3-,4+,5-/m1/s1 | | Synonyms: | D-2-KETO-3-DEOXYGALACTONATE | | Definition date: | 2004-07-19 | | Last modified: | 2024-09-27 | | Identifier: | 3-deoxy-D-lyxo-hexonic acid |
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 | | RST | | Name: | 3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranose | | Formula: | C6 H13 N O3 | | SMILES: | OC1C(OC(O)CC1N)C | | InChi: | InChI=1S/C6H13NO3/c1-3-6(9)4(7)2-5(8)10-3/h3-6,8-9H,2,7H2,1H3/t3-,4+,5+,6-/m0/s1 | | Synonyms: | RISTOSAMINE | | Definition date: | 2002-09-02 | | Last modified: | 2024-09-27 | | Identifier: | 3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranose |
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 | | CNT | | Name: | N-METHYL-META-CHLORO-TYROSINE | | Formula: | C10 H12 Cl N O3 | | SMILES: | Clc1cc(ccc1O)CC(C(=O)O)NC | | InChi: | InChI=1S/C10H12ClNO3/c1-12-8(10(14)15)5-6-2-3-9(13)7(11)4-6/h2-4,8,12-13H,5H2,1H3,(H,14,15)/t8-/m0/s1 | | Synonyms: | N-METHYL-3-CHLORO-TYROSINE | | Definition date: | 2003-07-31 | | Last modified: | 2024-09-27 | | Identifier: | 3-chloro-N-methyl-L-tyrosine |
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 | | CO2 | | Name: | CARBON DIOXIDE | | Formula: | C O2 | | SMILES: | O=C=O | | InChi: | InChI=1S/CO2/c2-1-3 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | dioxomethane |
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 | | COA | | Name: | COENZYME A | | Formula: | C21 H36 N7 O16 P3 S | | SMILES: | O=C(NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O | | InChi: | InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl dihydrogen diphosphate (non-preferred name) |
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 | | COI | | Name: | 2-OXO-4-METHYLPENTANOIC ACID | | Formula: | C6 H10 O3 | | SMILES: | O=C(C(=O)O)CC(C)C | | InChi: | InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9) | | Synonyms: | alpha-ketoisocaproic acid | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 4-methyl-2-oxopentanoic acid |
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 | | COM | | Name: | 1-THIOETHANESULFONIC ACID | | Formula: | C2 H6 O3 S2 | | SMILES: | O=S(=O)(O)CCS | | InChi: | InChI=1S/C2H6O3S2/c3-7(4,5)2-1-6/h6H,1-2H2,(H,3,4,5) | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 2-sulfanylethanesulfonic acid |
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 | | RTY | | Name: | 4-{4-[(2S,3R)-2-amino-4-bromo-3-hydroxybutyl]phenoxy}butanoic acid | | Formula: | C14 H20 Br N O4 | | SMILES: | BrCC(O)C(N)Cc1ccc(OCCCC(=O)O)cc1 | | InChi: | InChI=1S/C14H20BrNO4/c15-9-13(17)12(16)8-10-3-5-11(6-4-10)20-7-1-2-14(18)19/h3-6,12-13,17H,1-2,7-9,16H2,(H,18,19)/t12-,13-/m0/s1 | | Definition date: | 2009-07-01 | | Last modified: | 2024-09-27 | | Identifier: | 4-{4-[(2S,3R)-2-amino-4-bromo-3-hydroxybutyl]phenoxy}butanoic acid |
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