| F7W | Name: | 7-Fluorotryptophan | Formula: | C11 H11 F N2 O2 | SMILES: | N[CH](Cc1c[nH]c2c(F)cccc12)C(O)=O | InChi: | InChI=1S/C11H11FN2O2/c12-8-3-1-2-7-6(5-14-10(7)8)4-9(13)11(15)16/h1-3,5,9,14H,4,13H2,(H,15,16)/t9-/m0/s1 | Definition date: | 2017-06-09 | Last modified: | 2023-11-03 | Release date: | 2018-06-06 | Identifier: | (2~{S})-2-azanyl-3-(7-fluoranyl-1~{H}-indol-3-yl)propanoic acid |
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| F93 | Name: | (2R,3S)-2-azanyl-3-(3-chloranyl-4-oxidanyl-phenyl)-3-oxidanyl-propanoic acid | Formula: | C9 H10 Cl N O4 | SMILES: | N[CH]([CH](O)c1ccc(O)c(Cl)c1)C(O)=O | InChi: | InChI=1S/C9H10ClNO4/c10-5-3-4(1-2-6(5)12)8(13)7(11)9(14)15/h1-3,7-8,12-13H,11H2,(H,14,15)/t7-,8+/m1/s1 | Definition date: | 2020-04-16 | Last modified: | 2023-11-03 | Release date: | 2020-11-18 | Identifier: | (2~{R},3~{S})-2-azanyl-3-(3-chloranyl-4-oxidanyl-phenyl)-3-oxidanyl-propanoic acid |
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| 5OW | Name: | (2~{S})-2-azanyl-6-[[(~{Z})-~{C}-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-~{N}-[(2~{R})-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbonimidoyl]amino]hexanoic acid | Formula: | C17 H27 N4 O9 P S | SMILES: | Cc1ncc(CO[P](O)(O)=O)c(c1O)C(NCCCC[CH](N)C(O)=O)=N[CH](CS)C(O)=O | InChi: | InChI=1S/C17H27N4O9PS/c1-9-14(22)13(10(6-20-9)7-30-31(27,28)29)15(21-12(8-32)17(25)26)19-5-3-2-4-11(18)16(23)24/h6,11-12,22,32H,2-5,7-8,18H2,1H3,(H,19,21)(H,23,24)(H,25,26)(H2,27,28,29)/t11-,12-/m0/s1 | Definition date: | 2015-10-30 | Last modified: | 2023-11-03 | Release date: | 2016-11-09 | Identifier: | (2~{S})-2-azanyl-6-[[(~{Z})-~{C}-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-~{N}-[(2~{R})-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbonimidoyl]amino]hexanoic 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: | 2023-11-03 | Release date: | 2012-12-21 | Identifier: | (betaR)-beta-hydroxy-L-phenylalanine |
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| 5R5 | Name: | methyl L-serinate | Formula: | C4 H9 N O3 | SMILES: | NC(C(=O)OC)CO | InChi: | InChI=1S/C4H9NO3/c1-8-4(7)3(5)2-6/h3,6H,2,5H2,1H3/t3-/m0/s1 | Synonyms: | methyl (2~{S})-2-azanyl-3-oxidanyl-propanoate | Definition date: | 2015-11-13 | Last modified: | 2023-11-03 | Release date: | 2015-12-16 | Identifier: | methyl L-serinate |
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| 5T3 | Name: | N~6~-ethyl-N~6~-propan-2-yl-L-lysine | Formula: | C11 H24 N2 O2 | SMILES: | NC(CCCCN(C(C)C)CC)C(=O)O | InChi: | InChI=1S/C11H24N2O2/c1-4-13(9(2)3)8-6-5-7-10(12)11(14)15/h9-10H,4-8,12H2,1-3H3,(H,14,15)/t10-/m0/s1 | Definition date: | 2019-12-19 | Last modified: | 2023-11-03 | Release date: | 2020-01-15 | Identifier: | N~6~-ethyl-N~6~-propan-2-yl-L-lysine |
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| H7V | Name: | 3-cyclohexyl-N-methyl-L-alanine | Formula: | C10 H19 N O2 | SMILES: | N(C(C(O)=O)CC1CCCCC1)C | InChi: | InChI=1S/C10H19NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h8-9,11H,2-7H2,1H3,(H,12,13)/t9-/m0/s1 | Definition date: | 2018-06-13 | Last modified: | 2023-11-03 | Release date: | 2018-10-17 | Identifier: | 3-cyclohexyl-N-methyl-L-alanine |
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| HOO | Name: | (2~{S})-2-azanyl-3-[2,5-bis(oxidanylidene)imidazol-4-yl]propanoic acid | Formula: | C6 H7 N3 O4 | SMILES: | N[CH](CC1=NC(=O)NC1=O)C(O)=O | InChi: | InChI=1S/C6H7N3O4/c7-2(5(11)12)1-3-4(10)9-6(13)8-3/h2H,1,7H2,(H,11,12)(H,9,10,13)/t2-/m0/s1 | Definition date: | 2018-06-07 | Last modified: | 2023-11-03 | Release date: | 2019-02-27 | Identifier: | (2~{S})-2-azanyl-3-[2,5-bis(oxidanylidene)imidazol-4-yl]propanoic acid |
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| HOX | Name: | 4-amino-L-phenylalanine | Formula: | C9 H12 N2 O2 | SMILES: | O=C(O)C(N)Cc1ccc(N)cc1 | InChi: | InChI=1S/C9H12N2O2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)/t8-/m0/s1 | Definition date: | 2009-08-25 | Last modified: | 2023-11-03 | Identifier: | 4-amino-L-phenylalanine |
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| HP9 | Name: | (2S)-2-azanyl-3-(7-fluoranyl-9-oxidanylidene-xanthen-2-yl)propanoic acid | Formula: | C16 H12 F N O4 | SMILES: | N[CH](Cc1ccc2Oc3ccc(F)cc3C(=O)c2c1)C(O)=O | InChi: | InChI=1S/C16H12FNO4/c17-9-2-4-14-11(7-9)15(19)10-5-8(1-3-13(10)22-14)6-12(18)16(20)21/h1-5,7,12H,6,18H2,(H,20,21)/t12-/m0/s1 | Definition date: | 2021-01-26 | Last modified: | 2023-11-03 | Release date: | 2022-07-27 | Identifier: | (2~{S})-2-azanyl-3-(7-fluoranyl-9-oxidanylidene-xanthen-2-yl)propanoic acid |
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| HPH | Name: | (2S)-2-amino-3-phenylpropane-1,1-diol | Formula: | C9 H13 N O2 | SMILES: | OC(O)C(N)Cc1ccccc1 | InChi: | InChI=1S/C9H13NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8-9,11-12H,6,10H2/t8-/m0/s1 | Synonyms: | (2S)-2-amino-3-phenylpropane-1,1-diol | Definition date: | 1999-07-08 | Last modified: | 2023-11-03 | Identifier: | (2S)-2-amino-3-phenylpropane-1,1-diol |
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| HQA | Name: | 3-(8-hydroxyquinolin-3-yl)-L-alanine | Formula: | C12 H12 N2 O3 | SMILES: | O=C(O)C(N)Cc1cc2cccc(O)c2nc1 | InChi: | InChI=1S/C12H12N2O3/c13-9(12(16)17)5-7-4-8-2-1-3-10(15)11(8)14-6-7/h1-4,6,9,15H,5,13H2,(H,16,17)/t9-/m0/s1 | Definition date: | 2008-12-10 | Last modified: | 2023-11-03 | Identifier: | 3-(8-hydroxyquinolin-3-yl)-L-alanine |
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| 60F | Name: | (2~{R})-2-azanyl-3-[(~{E})-3-(4-hydroxyphenyl)prop-2-enoyl]sulfanyl-propanoic acid | Formula: | C12 H13 N O4 S | SMILES: | N[CH](CSC(=O)C=Cc1ccc(O)cc1)C(O)=O | InChi: | InChI=1S/C12H13NO4S/c13-10(12(16)17)7-18-11(15)6-3-8-1-4-9(14)5-2-8/h1-6,10,14H,7,13H2,(H,16,17)/b6-3+/t10-/m0/s1 | Definition date: | 2016-01-07 | Last modified: | 2023-11-03 | Release date: | 2016-05-18 | Identifier: | (2~{R})-2-azanyl-3-[(~{E})-3-(4-hydroxyphenyl)prop-2-enoyl]sulfanyl-propanoic acid |
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| HS8 | Name: | 3-(1-sulfo-1H-imidazol-3-ium-4-yl)-L-alanine | Formula: | C6 H10 N3 O5 S | SMILES: | O=S(=O)(O)n1cc([nH+]c1)CC(C(=O)O)N | InChi: | InChI=1S/C6H9N3O5S/c7-5(6(10)11)1-4-2-9(3-8-4)15(12,13)14/h2-3,5H,1,7H2,(H,10,11)(H,12,13,14)/p+1/t5-/m0/s1 | Definition date: | 2008-11-13 | Last modified: | 2023-11-03 | Identifier: | 3-(1-sulfo-1H-imidazol-3-ium-4-yl)-L-alanine |
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| HSK | Name: | 3-hydroxy-L-histidine | Formula: | C6 H9 N3 O3 | SMILES: | O=C(O)C(N)Cc1cncn1O | InChi: | InChI=1S/C6H9N3O3/c7-5(6(10)11)1-4-2-8-3-9(4)12/h2-3,5,12H,1,7H2,(H,10,11)/t5-/m0/s1 | Definition date: | 2014-05-01 | Last modified: | 2023-11-03 | Release date: | 2014-09-03 | Identifier: | 3-hydroxy-L-histidine |
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| HSO | Name: | L-histidinol | Formula: | C6 H12 N3 O | SMILES: | NC(CO)Cc1[nH+]cnc1 | InChi: | InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/p+1/t5-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2023-11-03 | Identifier: | 4-[(2S)-2-amino-3-hydroxypropyl]-1H-imidazol-3-ium |
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| HSV | Name: | L-histidinal | Formula: | C6 H10 N3 O | SMILES: | NC(C=O)Cc1[nH+]cnc1 | InChi: | InChI=1S/C6H9N3O/c7-5(3-10)1-6-2-8-4-9-6/h2-5H,1,7H2,(H,8,9)/p+1/t5-/m0/s1 | Definition date: | 2015-06-17 | Last modified: | 2023-11-03 | Identifier: | 4-[(2S)-2-amino-3-oxopropyl]-1H-imidazol-3-ium |
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| HTR | Name: | BETA-HYDROXYTRYPTOPHANE | Formula: | C11 H12 N2 O3 | SMILES: | O=C(O)C(N)C(O)c2c1ccccc1nc2 | InChi: | InChI=1S/C11H12N2O3/c12-9(11(15)16)10(14)7-5-13-8-4-2-1-3-6(7)8/h1-5,9-10,13-14H,12H2,(H,15,16)/t9-,10-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2023-11-03 | Identifier: | (betaS)-beta-hydroxy-L-tryptophan |
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| 62H | Name: | (2S)-3-amino-2-methylpropanoic acid | Formula: | C4 H9 N O2 | SMILES: | NCC(C(=O)O)C | InChi: | InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1 | Definition date: | 2016-01-15 | Last modified: | 2023-11-03 | Release date: | 2016-02-24 | Identifier: | (2S)-3-amino-2-methylpropanoic acid |
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| HTY | Name: | (betaR)-beta-hydroxy-D-tyrosine | Formula: | C9 H11 N O4 | SMILES: | O=C(O)C(N)C(O)c1ccc(O)cc1 | InChi: | InChI=1S/C9H11NO4/c10-7(9(13)14)8(12)5-1-3-6(11)4-2-5/h1-4,7-8,11-12H,10H2,(H,13,14)/t7-,8-/m1/s1 | Definition date: | 2002-09-02 | Last modified: | 2023-11-03 | Identifier: | (betaR)-beta-hydroxy-D-tyrosine |
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| N2C | Name: | N,S-DIMETHYLCYSTEINE | Formula: | C5 H11 N O2 S | SMILES: | O=C(O)C(NC)CSC | InChi: | InChI=1S/C5H11NO2S/c1-6-4(3-9-2)5(7)8/h4,6H,3H2,1-2H3,(H,7,8)/t4-/m0/s1 | Definition date: | 2004-11-02 | Last modified: | 2023-11-03 | Identifier: | N,S-dimethyl-L-cysteine |
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| N6F | Name: | (2S)-N-(4-acetamidopyridin-3-yl)-2-(3-chlorophenyl)propanamide | Formula: | C16 H16 Cl N3 O2 | SMILES: | O=C(Nc1cnccc1NC(C)=O)C(C)c1cccc(Cl)c1 | InChi: | InChI=1S/C16H16ClN3O2/c1-10(12-4-3-5-13(17)8-12)16(22)20-15-9-18-7-6-14(15)19-11(2)21/h3-10H,1-2H3,(H,20,22)(H,18,19,21)/t10-/m0/s1 | Definition date: | 2023-08-16 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (2S)-N-(4-acetamidopyridin-3-yl)-2-(3-chlorophenyl)propanamide |
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| N7L | Name: | (1R,2R)-2-(fluoromethyl)-N-(4-methylpyridin-3-yl)cyclopropane-1-carboxamide | Formula: | C11 H13 F N2 O | SMILES: | O=C(Nc1cnccc1C)C1CC1CF | InChi: | InChI=1S/C11H13FN2O/c1-7-2-3-13-6-10(7)14-11(15)9-4-8(9)5-12/h2-3,6,8-9H,4-5H2,1H3,(H,14,15)/t8-,9+/m0/s1 | Definition date: | 2023-08-16 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (1R,2R)-2-(fluoromethyl)-N-(4-methylpyridin-3-yl)cyclopropane-1-carboxamide |
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| 4HH | Name: | 4'-phosphopanthetheine-serine | Formula: | C14 H28 N3 O9 P S | SMILES: | O=C(O)C(N)COP(O)(=O)OCC(C)(C(C(=O)NCCC(=O)NCCS)O)C | InChi: | InChI=1S/C14H28N3O9PS/c1-14(2,8-26-27(23,24)25-7-9(15)13(21)22)11(19)12(20)17-4-3-10(18)16-5-6-28/h9,11,19,28H,3-8,15H2,1-2H3,(H,16,18)(H,17,20)(H,21,22)(H,23,24)/t9-,11-/m0/s1 | Synonyms: | O-[(S)-hydroxy{[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl]oxy}phosphoryl]-L-serine | Definition date: | 2015-09-08 | Last modified: | 2023-11-03 | Release date: | 2015-09-23 | Identifier: | O-[(S)-hydroxy{[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl]oxy}phosphoryl]-L-serine |
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| 4HT | Name: | 4-HYDROXYTRYPTOPHAN | Formula: | C11 H12 N2 O3 | SMILES: | O=C(O)C(N)Cc2c1c(cccc1O)nc2 | InChi: | InChI=1S/C11H12N2O3/c12-7(11(15)16)4-6-5-13-8-2-1-3-9(14)10(6)8/h1-3,5,7,13-14H,4,12H2,(H,15,16)/t7-/m0/s1 | Definition date: | 2004-01-20 | Last modified: | 2023-11-03 | Identifier: | 4-hydroxy-L-tryptophan |
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