 | | A4W | | Name: | ~{N}-(3-chloranyl-2-fluoranyl-phenyl)-3-sulfanyl-propanamide | | Formula: | C9 H9 Cl F N O S | | SMILES: | Fc1c(Cl)cccc1NC(=O)CCS | | InChi: | InChI=1S/C9H9ClFNOS/c10-6-2-1-3-7(9(6)11)12-8(13)4-5-14/h1-3,14H,4-5H2,(H,12,13) | | Definition date: | 2017-08-16 | | Last modified: | 2024-09-27 | | Release date: | 2017-11-01 | | Identifier: | ~{N}-(3-chloranyl-2-fluoranyl-phenyl)-3-sulfanyl-propanamide |
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 | | A5N | | Name: | O-carboxy-4-imino-L-homoserine | | Formula: | C5 H8 N2 O5 | | SMILES: | O=C(O)C(N)CC(=[N@H])OC(=O)O | | InChi: | InChI=1S/C5H8N2O5/c6-2(4(8)9)1-3(7)12-5(10)11/h2,7H,1,6H2,(H,8,9)(H,10,11)/b7-3+/t2-/m0/s1 | | Definition date: | 2010-07-04 | | Last modified: | 2024-09-27 | | Identifier: | O-carboxy-4-imino-L-homoserine |
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 | | A5O | | Name: | ADENINE ARABINOSE-5'-PHOSPHATE | | Formula: | C10 H14 N5 O7 P | | SMILES: | O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7+,10-/m1/s1 | | Definition date: | 2009-10-09 | | Last modified: | 2024-09-27 | | Identifier: | 9-(5-O-phosphono-beta-D-arabinofuranosyl)-9H-purin-6-amine |
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 | | A5P | | Name: | ARABINOSE-5-PHOSPHATE | | Formula: | C5 H13 O8 P | | SMILES: | O=P(O)(O)OCC(O)C(O)C(O)CO | | InChi: | InChI=1S/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5+/m1/s1 | | Definition date: | 2000-10-06 | | Last modified: | 2024-09-27 | | Identifier: | 5-O-phosphono-D-arabinitol |
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 | | A5R | | Name: | amino{[(4S)-4-amino-9-carboxy-5-oxononyl]amino}methaniminium | | Formula: | C11 H23 N4 O3 | | SMILES: | O=C(CCCCC(=O)O)C(N)CCCNC(=[NH2+])N | | InChi: | InChI=1S/C11H22N4O3/c12-8(4-3-7-15-11(13)14)9(16)5-1-2-6-10(17)18/h8H,1-7,12H2,(H,17,18)(H4,13,14,15)/p+1/t8-/m0/s1 | | Definition date: | 2011-01-28 | | Last modified: | 2024-09-27 | | Identifier: | amino{[(4S)-4-amino-9-carboxy-5-oxononyl]amino}methaniminium |
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 | | A5S | | Name: | ~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] 3-oxidanylidenebutanethioate | | Formula: | C15 H27 N2 O9 P S | | SMILES: | CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O | | InChi: | InChI=1S/C15H27N2O9PS/c1-10(18)8-12(20)28-7-6-16-11(19)4-5-17-14(22)13(21)15(2,3)9-26-27(23,24)25/h13,21H,4-9H2,1-3H3,(H,16,19)(H,17,22)(H2,23,24,25)/t13-/m0/s1 | | Definition date: | 2023-07-17 | | Last modified: | 2024-09-27 | | Release date: | 2023-11-22 | | Identifier: | ~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] 3-oxidanylidenebutanethioate |
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 | | A5Z | | Name: | [3-[2,6-bis(chloranyl)phenyl]-5-methyl-1,2-oxazol-4-yl]methanol | | Formula: | C11 H9 Cl2 N O2 | | SMILES: | Cc1onc(c1CO)c2c(Cl)cccc2Cl | | InChi: | InChI=1S/C11H9Cl2NO2/c1-6-7(5-15)11(14-16-6)10-8(12)3-2-4-9(10)13/h2-4,15H,5H2,1H3 | | Definition date: | 2017-08-16 | | Last modified: | 2024-09-27 | | Release date: | 2017-11-01 | | Identifier: | [3-[2,6-bis(chloranyl)phenyl]-5-methyl-1,2-oxazol-4-yl]methanol |
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 | | A66 | | Name: | 2-AMINOETHYLLYSINE-CARBONYLMETHYLENE-ADENINE | | Formula: | C15 H24 N8 O3 | | SMILES: | O=C(O)C(N(C(=O)Cn1c2ncnc(c2nc1)N)CCN)CCCCN | | InChi: | InChI=1S/C15H24N8O3/c16-4-2-1-3-10(15(25)26)23(6-5-17)11(24)7-22-9-21-12-13(18)19-8-20-14(12)22/h8-10H,1-7,16-17H2,(H,25,26)(H2,18,19,20)/t10-/m1/s1 | | Definition date: | 2003-02-19 | | Last modified: | 2024-09-27 | | Identifier: | N~2~-(2-aminoethyl)-N~2~-[(6-amino-9H-purin-9-yl)acetyl]-D-lysine |
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 | | A7V | | Name: | N-{2-[(2Z)-3-chlorotetradec-2-enamido]ethyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide | | Formula: | C25 H47 Cl N3 O8 P | | SMILES: | O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCNC(=O)/C=C(Cl)CCCCCCCCCCC | | InChi: | InChI=1S/C25H47ClN3O8P/c1-4-5-6-7-8-9-10-11-12-13-20(26)18-22(31)28-17-16-27-21(30)14-15-29-24(33)23(32)25(2,3)19-37-38(34,35)36/h18,23,32H,4-17,19H2,1-3H3,(H,27,30)(H,28,31)(H,29,33)(H2,34,35,36)/b20-18-/t23-/m0/s1 | | Definition date: | 2021-11-08 | | Last modified: | 2024-09-27 | | Release date: | 2022-08-03 | | Identifier: | N-{2-[(2Z)-3-chlorotetradec-2-enamido]ethyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide |
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 | | A7Z | | Name: | 4-[4-(3-methoxyphenyl)-1-(prop-2-yn-1-yl)-1H-imidazol-5-yl]phenyl sulfurofluoridate | | Formula: | C19 H15 F N2 O4 S | | SMILES: | S(=O)(F)(=O)Oc1ccc(cc1)c2n(CC#C)cnc2c3cc(ccc3)OC | | InChi: | InChI=1S/C19H15FN2O4S/c1-3-11-22-13-21-18(15-5-4-6-17(12-15)25-2)19(22)14-7-9-16(10-8-14)26-27(20,23)24/h1,4-10,12-13H,11H2,2H3 | | Definition date: | 2017-01-25 | | Last modified: | 2024-09-27 | | Release date: | 2018-01-17 | | Identifier: | 4-[4-(3-methoxyphenyl)-1-(prop-2-yn-1-yl)-1H-imidazol-5-yl]phenyl sulfurofluoridate |
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 | | A8E | | Name: | (2S)-2-amino-4-bromopent-4-enoic acid | | Formula: | C5 H8 Br N O2 | | SMILES: | BrC(=C)CC(N)C(=O)O | | InChi: | InChI=1S/C5H8BrNO2/c1-3(6)2-4(7)5(8)9/h4H,1-2,7H2,(H,8,9)/t4-/m0/s1 | | Definition date: | 2011-06-24 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-2-amino-4-bromopent-4-enoic acid |
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 | | A8J | | Name: | tert-butyl 3-ethanoylbenzoate | | Formula: | C13 H16 O3 | | SMILES: | CC(=O)c1cccc(c1)C(=O)OC(C)(C)C | | InChi: | InChI=1S/C13H16O3/c1-9(14)10-6-5-7-11(8-10)12(15)16-13(2,3)4/h5-8H,1-4H3 | | Synonyms: | 317829-73-5 | | Definition date: | 2023-05-16 | | Last modified: | 2024-09-27 | | Release date: | 2024-05-15 | | Identifier: | ~{tert}-butyl 3-ethanoylbenzoate |
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 | | A93 | | Name: | 4-fluorophenyl 3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoate | | Formula: | C23 H19 F O3 | | SMILES: | Fc3ccc(OC(=O)c1cccc(c1)C=Cc2cc(c(O)c(c2)C)C)cc3 | | InChi: | InChI=1S/C23H19FO3/c1-15-12-18(13-16(2)22(15)25)7-6-17-4-3-5-19(14-17)23(26)27-21-10-8-20(24)9-11-21/h3-14,25H,1-2H3/b7-6+ | | Synonyms: | (E)-4-fluorophenyl 3-(4-hydroxy-3,5-dimethylstyryl)benzoate | | Definition date: | 2009-06-26 | | Last modified: | 2024-09-27 | | Identifier: | 4-fluorophenyl 3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoate |
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 | | A9C | | Name: | N-{[3-({[(1S,2R)-2-{[(2E)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide | | Formula: | C34 H45 N5 O3 | | SMILES: | C1CN(C)CCN1Cc2ccc(cc2)C(=O)NCc3cc(ccc3)COC4CCCC4NC(=O)C(=CC(C)(C)C)C#N | | InChi: | InChI=1S/C34H45N5O3/c1-34(2,3)20-29(21-35)33(41)37-30-9-6-10-31(30)42-24-27-8-5-7-26(19-27)22-36-32(40)28-13-11-25(12-14-28)23-39-17-15-38(4)16-18-39/h5,7-8,11-14,19-20,30-31H,6,9-10,15-18,22-24H2,1-4H3,(H,36,40)(H,37,41)/t30-,31+/m1/s1 | | Definition date: | 2018-10-24 | | Last modified: | 2024-09-27 | | Release date: | 2019-10-16 | | Identifier: | N-{[3-({[(1S,2R)-2-{[(2E)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide |
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 | | A9F | | Name: | N-{[3-({[(1R,2S)-2-{[(2E)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide | | Formula: | C34 H45 N5 O3 | | SMILES: | C1CN(C)CCN1Cc2ccc(cc2)C(=O)NCc3cc(ccc3)COC4C(CCC4)NC(=O)C(=CC(C)(C)C)C#N | | InChi: | InChI=1S/C34H45N5O3/c1-34(2,3)20-29(21-35)33(41)37-30-9-6-10-31(30)42-24-27-8-5-7-26(19-27)22-36-32(40)28-13-11-25(12-14-28)23-39-17-15-38(4)16-18-39/h5,7-8,11-14,19-20,30-31H,6,9-10,15-18,22-24H2,1-4H3,(H,36,40)(H,37,41)/t30-,31+/m0/s1 | | Definition date: | 2018-10-24 | | Last modified: | 2024-09-27 | | Release date: | 2019-10-16 | | Identifier: | N-{[3-({[(1R,2S)-2-{[(2E)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide |
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 | | A9Z | | Name: | 2'-deoxy-2'-(4-ethyl-1H-1,2,3-triazol-1-yl)adenosine 5'-(dihydrogen phosphate) | | Formula: | C14 H19 N8 O6 P | | SMILES: | O=P(O)(O)OCC4OC(n2cnc1c(ncnc12)N)C(n3nnc(c3)CC)C4O | | InChi: | InChI=1S/C14H19N8O6P/c1-2-7-3-22(20-19-7)10-11(23)8(4-27-29(24,25)26)28-14(10)21-6-18-9-12(15)16-5-17-13(9)21/h3,5-6,8,10-11,14,23H,2,4H2,1H3,(H2,15,16,17)(H2,24,25,26)/t8-,10-,11-,14-/m1/s1 | | Definition date: | 2013-01-16 | | Last modified: | 2024-09-27 | | Release date: | 2013-07-03 | | Identifier: | 2'-deoxy-2'-(4-ethyl-1H-1,2,3-triazol-1-yl)adenosine 5'-(dihydrogen phosphate) |
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 | | AA1 | | Name: | [1-(4-ETHOXY-4-OXOBUTANOYL)HYDRAZINO]ACETIC ACID | | Formula: | C8 H14 N2 O5 | | SMILES: | O=C(N(N)CC(=O)O)CCC(=O)OCC | | InChi: | InChI=1S/C8H14N2O5/c1-2-15-8(14)4-3-6(11)10(9)5-7(12)13/h2-5,9H2,1H3,(H,12,13) | | Definition date: | 2005-09-14 | | Last modified: | 2024-09-27 | | Identifier: | [1-(4-ethoxy-4-oxobutanoyl)hydrazino]acetic acid |
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 | | AA4 | | Name: | 2-AMINO-5-HYDROXYPENTANOIC ACID | | Formula: | C5 H11 N O3 | | SMILES: | O=C(O)C(N)CCCO | | InChi: | InChI=1S/C5H11NO3/c6-4(5(8)9)2-1-3-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1 | | Definition date: | 1999-08-09 | | Last modified: | 2024-09-27 | | Identifier: | 5-hydroxy-L-norvaline |
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 | | AA8 | | Name: | Anguinomycin A, bound form | | Formula: | C31 H48 O7 | | SMILES: | O=C(O)CCCC(O)/C=C/C(=CC(C)C/C=C/C(=C/C(C(=O)C(C)C(O)C(C)CC(=CC(=O)O)C)C)C)C | | InChi: | InChI=1S/C31H48O7/c1-20(16-22(3)14-15-27(32)12-9-13-28(33)34)10-8-11-21(2)17-24(5)30(37)26(7)31(38)25(6)18-23(4)19-29(35)36/h8,11,14-17,19-20,24-27,31-32,38H,9-10,12-13,18H2,1-7H3,(H,33,34)(H,35,36)/b11-8+,15-14+,21-17+,22-16-,23-19+/t20-,24-,25+,26-,27-,31-/m1/s1 | | Definition date: | 2012-10-11 | | Last modified: | 2024-09-27 | | Release date: | 2013-01-04 | | Identifier: | (2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E,20R)-6,20-dihydroxy-3,5,7,9,11,15,17-heptamethyl-8-oxotetracosa-2,10,12,16,18-pentaenedioic acid |
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 | | AAC | | Name: | ACETYLAMINO-ACETIC ACID | | Formula: | C4 H7 N O3 | | SMILES: | O=C(NCC(=O)O)C | | InChi: | InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8) | | Definition date: | 1999-07-16 | | Last modified: | 2024-09-27 | | Identifier: | N-acetylglycine |
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 | | AAE | | Name: | ACETOACETIC ACID | | Formula: | C4 H6 O3 | | SMILES: | O=C(C)CC(=O)O | | InChi: | InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7) | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 3-oxobutanoic acid |
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 | | AAF | | Name: | METHYL 4-{[({[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE | | Formula: | C20 H29 N5 O4 | | SMILES: | O=C(NCC2NC(C(=O)N1C(CN)CCC1)CC2)Nc3ccc(C(=O)OC)cc3 | | InChi: | InChI=1S/C20H29N5O4/c1-29-19(27)13-4-6-14(7-5-13)24-20(28)22-12-15-8-9-17(23-15)18(26)25-10-2-3-16(25)11-21/h4-7,15-17,23H,2-3,8-12,21H2,1H3,(H2,22,24,28)/t15-,16+,17+/m1/s1 | | Definition date: | 2006-03-13 | | Last modified: | 2024-09-27 | | Identifier: | methyl 4-[({[(2R,5S)-5-{[(2S)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methyl}carbamoyl)amino]benzoate |
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 | | AAK | | Name: | ~{tert}-butyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate | | Formula: | C16 H22 N2 O3 | | SMILES: | CCC(=O)N1CCN(C(=O)OC(C)(C)C)c2ccccc12 | | InChi: | InChI=1S/C16H22N2O3/c1-5-14(19)17-10-11-18(15(20)21-16(2,3)4)13-9-7-6-8-12(13)17/h6-9H,5,10-11H2,1-4H3 | | Definition date: | 2017-08-18 | | Last modified: | 2024-09-27 | | Release date: | 2018-03-14 | | Identifier: | ~{tert}-butyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate |
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 | | AAR | | Name: | ARGININEAMIDE | | Formula: | C6 H16 N5 O | | SMILES: | O=C(N)C(N)CCCNC(=[NH2+])N | | InChi: | InChI=1S/C6H15N5O/c7-4(5(8)12)2-1-3-11-6(9)10/h4H,1-3,7H2,(H2,8,12)(H4,9,10,11)/p+1/t4-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | amino{[(4S)-4,5-diamino-5-oxopentyl]amino}methaniminium |
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 | | ABA | | Name: | ALPHA-AMINOBUTYRIC ACID | | Formula: | C4 H9 N O2 | | SMILES: | O=C(O)C(N)CC | | InChi: | InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-2-aminobutanoic acid |
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