 | | B3K | | Name: | (3S)-3,7-DIAMINOHEPTANOIC ACID | | Formula: | C7 H16 N2 O2 | | SMILES: | O=C(O)CC(N)CCCCN | | InChi: | InChI=1S/C7H16N2O2/c8-4-2-1-3-6(9)5-7(10)11/h6H,1-5,8-9H2,(H,10,11)/t6-/m0/s1 | | Definition date: | 2007-02-28 | | Last modified: | 2024-09-27 | | Identifier: | (3S)-3,7-diaminoheptanoic acid |
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 | | B3L | | Name: | (3S)-3-amino-5-methylhexanoic acid | | Formula: | C7 H15 N O2 | | SMILES: | O=C(O)CC(N)CC(C)C | | InChi: | InChI=1S/C7H15NO2/c1-5(2)3-6(8)4-7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m0/s1 | | Synonyms: | (S)-beta-3-homoleucine | | Definition date: | 2008-02-05 | | Last modified: | 2024-09-27 | | Identifier: | (3S)-3-amino-5-methylhexanoic acid |
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 | | B3M | | Name: | (3R)-3-amino-5-(methylsulfanyl)pentanoic acid | | Formula: | C6 H13 N O2 S | | SMILES: | O=C(O)CC(N)CCSC | | InChi: | InChI=1S/C6H13NO2S/c1-10-3-2-5(7)4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1 | | Definition date: | 2008-11-19 | | Last modified: | 2024-09-27 | | Identifier: | (3R)-3-amino-5-(methylsulfanyl)pentanoic acid |
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 | | B3Q | | Name: | (3S)-3,6-diamino-6-oxohexanoic acid | | Formula: | C6 H12 N2 O3 | | SMILES: | O=C(N)CCC(N)CC(=O)O | | InChi: | InChI=1S/C6H12N2O3/c7-4(3-6(10)11)1-2-5(8)9/h4H,1-3,7H2,(H2,8,9)(H,10,11)/t4-/m0/s1 | | Synonyms: | (S)-beta-3-homoglutamine | | Definition date: | 2008-02-05 | | Last modified: | 2024-09-27 | | Identifier: | (3S)-3,6-diamino-6-oxohexanoic acid |
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 | | B3S | | Name: | (3R)-3-AMINO-4-HYDROXYBUTANOIC ACID | | Formula: | C4 H9 N O3 | | SMILES: | O=C(O)CC(N)CO | | InChi: | InChI=1S/C4H9NO3/c5-3(2-6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m1/s1 | | Definition date: | 2007-02-28 | | Last modified: | 2024-09-27 | | Identifier: | (3R)-3-amino-4-hydroxybutanoic acid |
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 | | B3T | | Name: | 3-amino-2,3,5-trideoxy-D-threo-pentonic acid | | Formula: | C5 H11 N O3 | | SMILES: | O=C(O)CC(N)C(O)C | | InChi: | InChI=1S/C5H11NO3/c1-3(7)4(6)2-5(8)9/h3-4,7H,2,6H2,1H3,(H,8,9)/t3-,4-/m1/s1 | | Definition date: | 2008-11-10 | | Last modified: | 2024-09-27 | | Identifier: | 3-amino-2,3,5-trideoxy-D-threo-pentonic acid |
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 | | B3U | | Name: | 2-amino-L-histidine | | Formula: | C6 H10 N4 O2 | | SMILES: | O=C(O)C(N)Cc1cnc(N)n1 | | InChi: | InChI=1S/C6H10N4O2/c7-4(5(11)12)1-3-2-9-6(8)10-3/h2,4H,1,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1 | | Definition date: | 2007-11-07 | | Last modified: | 2024-09-27 | | Identifier: | 2-amino-L-histidine |
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 | | B3X | | Name: | (3S)-3,5-DIAMINO-5-OXOPENTANOIC ACID | | Formula: | C5 H10 N2 O3 | | SMILES: | O=C(N)CC(N)CC(=O)O | | InChi: | InChI=1S/C5H10N2O3/c6-3(1-4(7)8)2-5(9)10/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 | | Definition date: | 2007-02-28 | | Last modified: | 2024-09-27 | | Identifier: | (3S)-3,5-diamino-5-oxopentanoic acid |
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 | | B3Y | | Name: | (3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID | | Formula: | C10 H13 N O3 | | SMILES: | O=C(O)CC(N)Cc1ccc(O)cc1 | | InChi: | InChI=1S/C10H13NO3/c11-8(6-10(13)14)5-7-1-3-9(12)4-2-7/h1-4,8,12H,5-6,11H2,(H,13,14)/t8-/m0/s1 | | Definition date: | 2007-02-28 | | Last modified: | 2024-09-27 | | Identifier: | (3S)-3-amino-4-(4-hydroxyphenyl)butanoic acid |
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 | | 1VR | | Name: | (3R)-3-amino-4-methylpentanoic acid | | Formula: | C6 H13 N O2 | | SMILES: | O=C(O)CC(N)C(C)C | | InChi: | InChI=1S/C6H13NO2/c1-4(2)5(7)3-6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1 | | Synonyms: | beta-3-homovaline | | Definition date: | 2013-06-21 | | Last modified: | 2024-09-27 | | Release date: | 2013-09-04 | | Identifier: | (3R)-3-amino-4-methylpentanoic acid |
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 | | GYV | | Name: | 2-acetamido-1-O-carbamoyl-2-deoxy-alpha-D-glucopyranose | | Formula: | C9 H16 N2 O7 | | SMILES: | O=C(OC1OC(C(O)C(O)C1NC(=O)C)CO)N | | InChi: | InChI=1S/C9H16N2O7/c1-3(13)11-5-7(15)6(14)4(2-12)17-8(5)18-9(10)16/h4-8,12,14-15H,2H2,1H3,(H2,10,16)(H,11,13)/t4-,5-,6-,7-,8-/m1/s1 | | Synonyms: | 2-(ACETYLAMINO)-1-O-CARBAMOYL-2-DEOXY-ALPHA-D-GLUCOPYRANOSE | | Definition date: | 2010-01-26 | | Last modified: | 2024-09-27 | | Identifier: | 2-(acetylamino)-1-O-carbamoyl-2-deoxy-alpha-D-glucopyranose |
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 | | 22W | | Name: | 2-[(1S,2S)-1-amino-2-methylbutyl]-4-(thioxomethylidene)-1,3-oxazol-5(4H)-one | | Formula: | C9 H12 N2 O2 S | | SMILES: | S=C=C1/N=C(OC1=O)C(N)C(C)CC | | InChi: | InChI=1S/C9H12N2O2S/c1-3-5(2)7(10)8-11-6(4-14)9(12)13-8/h5,7H,3,10H2,1-2H3/t5-,7-/m0/s1 | | Definition date: | 2014-03-12 | | Last modified: | 2024-09-27 | | Release date: | 2015-05-20 | | Identifier: | 2-[(1S,2S)-1-amino-2-methylbutyl]-4-(thioxomethylidene)-1,3-oxazol-5(4H)-one |
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 | | 23F | | Name: | (2Z)-2-AMINO-3-PHENYLACRYLIC ACID | | Formula: | C9 H9 N O2 | | SMILES: | O=C(O)C(/N)=C/c1ccccc1 | | InChi: | InChI=1S/C9H9NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6H,10H2,(H,11,12)/b8-6- | | Synonyms: | DEHYDROPHENYLALANINE | | Definition date: | 2005-10-17 | | Last modified: | 2024-09-27 | | Identifier: | (2Z)-2-amino-3-phenylprop-2-enoic acid |
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 | | H14 | | Name: | (2S,3R)-BETA-HYDROXY-PHENYLALANINE | | Formula: | C9 H11 N O3 | | SMILES: | O=C(O)C(N)C(O)c1ccccc1 | | InChi: | InChI=1S/C9H11NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8+/m0/s1 | | Synonyms: | BETA-HYDROXY-PHENYLALANINE | | Definition date: | 2008-10-17 | | Last modified: | 2024-09-27 | | Release date: | 2012-12-21 | | Identifier: | (betaR)-beta-hydroxy-L-phenylalanine |
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 | | H2V | | Name: | S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] aminoethanethioate | | Formula: | C13 H26 N3 O8 P S | | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)CN | | InChi: | InChI=1S/C13H26N3O8PS/c1-13(2,8-24-25(21,22)23)11(19)12(20)16-4-3-9(17)15-5-6-26-10(18)7-14/h11,19H,3-8,14H2,1-2H3,(H,15,17)(H,16,20)(H2,21,22,23)/t11-/m1/s1 | | Synonyms: | S-glycyl-4'-phosphopantetheine | | Definition date: | 2012-09-21 | | Last modified: | 2024-09-27 | | Release date: | 2013-03-06 | | Identifier: | S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] aminoethanethioate |
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 | | H37 | | Name: | D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-phenylalaninamide | | Formula: | C25 H33 Cl N6 O3 | | SMILES: | ClCC(=O)C(NC(=O)C(NC(=O)C(N)Cc1ccccc1)Cc2ccccc2)CCCNC(=[N@H])N | | InChi: | InChI=1S/C25H33ClN6O3/c26-16-22(33)20(12-7-13-30-25(28)29)31-24(35)21(15-18-10-5-2-6-11-18)32-23(34)19(27)14-17-8-3-1-4-9-17/h1-6,8-11,19-21H,7,12-16,27H2,(H,31,35)(H,32,34)(H4,28,29,30)/t19-,20+,21+/m1/s1 | | Synonyms: | FFRCK | | Definition date: | 2010-11-09 | | Last modified: | 2024-09-27 | | Identifier: | D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-phenylalaninamide |
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 | | H5M | | Name: | TRANS-3-HYDROXY-5-METHYLPROLINE | | Formula: | C6 H11 N O3 | | SMILES: | O=C(O)C1NC(C)CC1O | | InChi: | InChI=1S/C6H11NO3/c1-3-2-4(8)5(7-3)6(9)10/h3-5,7-8H,2H2,1H3,(H,9,10)/t3-,4-,5-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (3S,5S)-3-hydroxy-5-methyl-L-proline |
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 | | N1L | | Name: | 2-amino-2-deoxy-beta-D-glucopyranuronic acid | | Formula: | C6 H11 N O6 | | SMILES: | O=C(O)C1OC(O)C(N)C(O)C1O | | InChi: | InChI=1S/C6H11NO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-4,6,8-9,12H,7H2,(H,10,11)/t1-,2-,3+,4+,6-/m1/s1 | | Synonyms: | 2-amino-2-deoxy-beta-D-glucuronic acid | | Definition date: | 2008-03-11 | | Last modified: | 2024-09-27 | | Identifier: | 2-amino-2-deoxy-beta-D-glucopyranuronic acid |
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 | | 56A | | Name: | 3-(8-phenyloctyl)-L-histidine | | Formula: | C20 H29 N3 O2 | | SMILES: | O=C(O)C(N)Cc1cncn1CCCCCCCCc2ccccc2 | | InChi: | InChI=1S/C20H29N3O2/c21-19(20(24)25)14-18-15-22-16-23(18)13-9-4-2-1-3-6-10-17-11-7-5-8-12-17/h5,7-8,11-12,15-16,19H,1-4,6,9-10,13-14,21H2,(H,24,25)/t19-/m0/s1 | | Definition date: | 2011-04-29 | | Last modified: | 2024-09-27 | | Identifier: | 3-(8-phenyloctyl)-L-histidine |
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 | | NDG | | Name: | 2-acetamido-2-deoxy-alpha-D-glucopyranose | | Formula: | C8 H15 N O6 | | SMILES: | O=C(NC1C(O)C(O)C(OC1O)CO)C | | InChi: | InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8+/m1/s1 | | Synonyms: | N-acetyl-alpha-D-glucosamine | | Definition date: | 2002-07-02 | | Last modified: | 2024-09-27 | | Identifier: | 2-(acetylamino)-2-deoxy-alpha-D-glucopyranose |
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 | | EYG | | Name: | {(2R,4Z)-2-[(1R)-1-amino-3-(methylsulfanyl)propyl]-2-hydroxy-4-[(4-hydroxyphenyl)methylidene]-5-oxoimidazolidin-1-yl}acetic acid | | Formula: | C16 H21 N3 O5 S | | SMILES: | O=C(O)CN1C(=O)/C(NC1(O)C(N)CCSC)=C/c2ccc(O)cc2 | | InChi: | InChI=1S/C16H21N3O5S/c1-25-7-6-13(17)16(24)18-12(15(23)19(16)9-14(21)22)8-10-2-4-11(20)5-3-10/h2-5,8,13,18,20,24H,6-7,9,17H2,1H3,(H,21,22)/b12-8-/t13-,16-/m1/s1 | | Synonyms: | CHROMOPHORE (MET-TYR-GLY) | | Definition date: | 2010-08-24 | | Last modified: | 2024-09-27 | | Identifier: | [(2R,4Z)-2-[(1R)-1-amino-3-(methylsulfanyl)propyl]-2-hydroxy-4-(4-hydroxybenzylidene)-5-oxoimidazolidin-1-yl]acetic acid |
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 | | F2F | | Name: | 3,4-difluoro-L-phenylalanine | | Formula: | C9 H9 F2 N O2 | | SMILES: | Fc1ccc(cc1F)CC(C(=O)O)N | | InChi: | InChI=1S/C9H9F2NO2/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m0/s1 | | Definition date: | 2008-05-20 | | Last modified: | 2024-09-27 | | Identifier: | 3,4-difluoro-L-phenylalanine |
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 | | F2P | | Name: | 1,6-DI-O-PHOSPHONO-D-ALLITOL | | Formula: | C6 H16 O12 P2 | | SMILES: | O=P(O)(O)OCC(O)C(O)C(O)C(O)COP(=O)(O)O | | InChi: | InChI=1S/C6H16O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,4+,5-,6+ | | Definition date: | 2004-09-27 | | Last modified: | 2024-09-27 | | Identifier: | 1,6-di-O-phosphono-D-allitol |
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 | | F6R | | Name: | FRUCTOSE -6-PHOSPHATE | | Formula: | C6 H13 O9 P | | SMILES: | C(C(C(C(C(COP(O)(O)=O)O)O)O)=O)O | | InChi: | InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h4-7,9-11H,1-2H2,(H2,12,13,14)/t4-,5-,6-/m1/s1 | | Definition date: | 2005-02-21 | | Last modified: | 2024-09-27 | | Identifier: | 6-O-phosphono-D-fructose |
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 | | 4LZ | | Name: | O-[2-(triaza-1,2-dien-2-ium-1-yl)ethyl]-L-tyrosine | | Formula: | C11 H15 N4 O3 | | SMILES: | C(C(N)Cc1ccc(OCCN=[N+]=N)cc1)(=O)O | | InChi: | InChI=1S/C11H14N4O3/c12-10(11(16)17)7-8-1-3-9(4-2-8)18-6-5-14-15-13/h1-4,10,13H,5-7,12H2/p+1/t10-/m0/s1 | | Definition date: | 2015-04-14 | | Last modified: | 2024-09-27 | | Release date: | 2015-05-06 | | Identifier: | O-[2-(triaza-1,2-dien-2-ium-1-yl)ethyl]-L-tyrosine |
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