 | | 1TQ | | Name: | 6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAN | | Formula: | C12 H13 N3 O4 | | SMILES: | O=C(O)C(N)Cc2c1ccc(c(O)c1nc2)NC=O | | InChi: | InChI=1S/C12H13N3O4/c13-8(12(18)19)3-6-4-14-10-7(6)1-2-9(11(10)17)15-5-16/h1-2,4-5,8,14,17H,3,13H2,(H,15,16)(H,18,19)/t8-/m0/s1 | | Definition date: | 2006-08-22 | | Last modified: | 2023-11-03 | | Identifier: | 6-(formylamino)-7-hydroxy-L-tryptophan |
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 | | G1X | | Name: | (2S)-2-azanyl-3-[3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]propanoic acid | | Formula: | C9 H9 N O4 | | SMILES: | N[CH](CC1=CC(=O)C(=O)C=C1)C(O)=O | | InChi: | InChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6H,3,10H2,(H,13,14)/t6-/m0/s1 | | Synonyms: | L-dopaquinone | | Definition date: | 2020-07-15 | | Last modified: | 2023-11-03 | | Release date: | 2021-06-16 | | Identifier: | (2~{S})-2-azanyl-3-[3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]propanoic acid |
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 | | 1TY | | Name: | 3-{(3E)-4-HYDROXY-6-OXO-3-[(2-PHENYLETHYL)IMINO]CYCLOHEXA-1,4-DIEN-1-YL}ALANINE | | Formula: | C17 H18 N2 O4 | | SMILES: | O=C2C=C(O)/C(=N/CCc1ccccc1)C=C2CC(C(=O)O)N | | InChi: | InChI=1S/C17H18N2O4/c18-13(17(22)23)8-12-9-14(16(21)10-15(12)20)19-7-6-11-4-2-1-3-5-11/h1-5,9-10,13,21H,6-8,18H2,(H,22,23)/b19-14+/t13-/m0/s1 | | Definition date: | 2005-07-07 | | Last modified: | 2023-11-03 | | Identifier: | 3-{(3E)-4-hydroxy-6-oxo-3-[(2-phenylethyl)imino]cyclohexa-1,4-dien-1-yl}-L-alanine |
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 | | 200 | | Name: | 4-CHLORO-L-PHENYLALANINE | | Formula: | C9 H10 Cl N O2 | | SMILES: | Clc1ccc(cc1)CC(C(=O)O)N | | InChi: | InChI=1S/C9H10ClNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1 | | Definition date: | 2005-09-15 | | Last modified: | 2023-11-03 | | Identifier: | 4-chloro-L-phenylalanine |
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 | | 22G | | Name: | N-[(2S)-2-amino-3-phenylpropyl]-L-tyrosine | | Formula: | C18 H22 N2 O3 | | SMILES: | O=C(O)C(NCC(N)Cc1ccccc1)Cc2ccc(O)cc2 | | InChi: | InChI=1S/C18H22N2O3/c19-15(10-13-4-2-1-3-5-13)12-20-17(18(22)23)11-14-6-8-16(21)9-7-14/h1-9,15,17,20-21H,10-12,19H2,(H,22,23)/t15-,17-/m0/s1 | | Definition date: | 2013-08-23 | | Last modified: | 2023-11-03 | | Release date: | 2014-01-15 | | Identifier: | N-[(2S)-2-amino-3-phenylpropyl]-L-tyrosine |
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 | | LML | | Name: | ISOBUTYL MALONIC ACID | | Formula: | C7 H12 O4 | | SMILES: | O=C(O)C(C(=O)O)CC(C)C | | InChi: | InChI=1S/C7H12O4/c1-4(2)3-5(6(8)9)7(10)11/h4-5H,3H2,1-2H3,(H,8,9)(H,10,11) | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | (2-methylpropyl)propanedioic acid |
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 | | 3PA | | Name: | 3-CYCLOPENTYL-PROPIONIC ACID | | Formula: | C8 H14 O2 | | SMILES: | O=C(O)CCC1CCCC1 | | InChi: | InChI=1S/C8H14O2/c9-8(10)6-5-7-3-1-2-4-7/h7H,1-6H2,(H,9,10) | | Definition date: | 2000-08-08 | | Last modified: | 2023-11-03 | | Identifier: | 3-cyclopentylpropanoic acid |
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 | | LOU | | Name: | 3-[(3aR,4S,7S,7aS)-2-(carboxymethyl)-1,3-dioxooctahydro-4H-4,7-epoxyisoindol-4-yl]-L-alanine | | Formula: | C13 H16 N2 O7 | | SMILES: | C(CN1C(C2C(C1=O)C3OC2(CC(N)C(=O)O)CC3)=O)(=O)O | | InChi: | InChI=1S/C13H16N2O7/c14-5(12(20)21)3-13-2-1-6(22-13)8-9(13)11(19)15(10(8)18)4-7(16)17/h5-6,8-9H,1-4,14H2,(H,16,17)(H,20,21)/t5-,6-,8+,9-,13-/m0/s1 | | Definition date: | 2019-07-01 | | Last modified: | 2023-11-03 | | Release date: | 2019-10-16 | | Identifier: | 3-[(3aR,4S,7S,7aS)-2-(carboxymethyl)-1,3-dioxooctahydro-4H-4,7-epoxyisoindol-4-yl]-L-alanine |
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 | | LOV | | Name: | 5-AMINO-4-HYDROXY-2-ISOPROPYL-7-METHYL-OCTANOIC ACID | | Formula: | C12 H25 N O3 | | SMILES: | O=C(O)C(C(C)C)CC(O)C(N)CC(C)C | | InChi: | InChI=1S/C12H25NO3/c1-7(2)5-10(13)11(14)6-9(8(3)4)12(15)16/h7-11,14H,5-6,13H2,1-4H3,(H,15,16)/t9-,10-,11-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | (2S,4S,5S)-5-amino-4-hydroxy-7-methyl-2-(propan-2-yl)octanoic acid |
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 | | 3PX | | Name: | (3S)-3-(propan-2-yloxy)-L-proline | | Formula: | C8 H15 N O3 | | SMILES: | O=C(O)C1NCCC1OC(C)C | | InChi: | InChI=1S/C8H15NO3/c1-5(2)12-6-3-4-9-7(6)8(10)11/h5-7,9H,3-4H2,1-2H3,(H,10,11)/t6-,7-/m0/s1 | | Definition date: | 2011-04-26 | | Last modified: | 2023-11-03 | | Identifier: | (3S)-3-(propan-2-yloxy)-L-proline |
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 | | 3TY | | Name: | 3-[(3E)-3-(BENZYLHYDRAZONO)-4-HYDROXY-6-OXOCYCLOHEXA-1,4-DIEN-1-YL]-L-ALANINE | | Formula: | C16 H17 N3 O4 | | SMILES: | O=C2C=C(O)/C(=N/NCc1ccccc1)C=C2CC(C(=O)O)N | | InChi: | InChI=1S/C16H17N3O4/c17-12(16(22)23)6-11-7-13(15(21)8-14(11)20)19-18-9-10-4-2-1-3-5-10/h1-5,7-8,12,18,21H,6,9,17H2,(H,22,23)/b19-13+/t12-/m0/s1 | | Definition date: | 2004-08-11 | | Last modified: | 2023-11-03 | | Identifier: | 3-[(3E)-3-(benzylhydrazono)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine |
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 | | I3D | | Name: | 5,6-difluoro-tryptophan | | Formula: | C11 H10 F2 N2 O2 | | SMILES: | N[CH](Cc1c[nH]c2cc(F)c(F)cc12)C(O)=O | | InChi: | InChI=1S/C11H10F2N2O2/c12-7-2-6-5(1-9(14)11(16)17)4-15-10(6)3-8(7)13/h2-4,9,15H,1,14H2,(H,16,17)/t9-/m0/s1 | | Synonyms: | (2S)-2-azanyl-3-[5,6-bis(fluoranyl)-1H-indol-3-yl]propanoic acid | | Definition date: | 2022-02-10 | | Last modified: | 2023-11-03 | | Release date: | 2022-11-23 | | Identifier: | (2~{S})-2-azanyl-3-[5,6-bis(fluoranyl)-1~{H}-indol-3-yl]propanoic acid |
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 | | 3V3 | | Name: | 1-amino-3,6,9,12-tetraoxapentadecan-15-oic acid | | Formula: | C11 H23 N O6 | | SMILES: | O=C(O)CCOCCOCCOCCOCCN | | InChi: | InChI=1S/C11H23NO6/c12-2-4-16-6-8-18-10-9-17-7-5-15-3-1-11(13)14/h1-10,12H2,(H,13,14) | | Definition date: | 2014-11-09 | | Last modified: | 2023-11-03 | | Release date: | 2015-02-11 | | Identifier: | 1-amino-3,6,9,12-tetraoxapentadecan-15-oic acid |
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 | | 3WS | | Name: | N,2-dimethyl-L-alanine | | Formula: | C5 H11 N O2 | | SMILES: | O=C(O)C(NC)(C)C | | InChi: | InChI=1S/C5H11NO2/c1-5(2,6-3)4(7)8/h6H,1-3H3,(H,7,8) | | Definition date: | 2014-12-01 | | Last modified: | 2023-11-03 | | Release date: | 2015-03-25 | | Identifier: | N,2-dimethyl-L-alanine |
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 | | 3WU | | Name: | (2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoic acid | | Formula: | C9 H17 N O3 | | SMILES: | O=C(O)C(C(OC)C1NCCC1)C | | InChi: | InChI=1S/C9H17NO3/c1-6(9(11)12)8(13-2)7-4-3-5-10-7/h6-8,10H,3-5H2,1-2H3,(H,11,12)/t6-,7+,8-/m1/s1 | | Definition date: | 2014-12-01 | | Last modified: | 2023-11-03 | | Release date: | 2015-03-25 | | Identifier: | (2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoic acid |
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 | | I7F | | Name: | O-hydroxy-L-serine | | Formula: | C3 H7 N O4 | | SMILES: | N[CH](COO)C(O)=O | | InChi: | InChI=1S/C3H7NO4/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 | | Synonyms: | (2S)-2-amino-3-hydroperoxypropanoic acid | | Definition date: | 2022-02-17 | | Last modified: | 2023-11-03 | | Release date: | 2022-10-26 | | Identifier: | (2~{S})-2-azanyl-3-(dioxidanyl)propanoic acid |
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 | | 3YM | | Name: | 3-methoxy-L-tyrosine | | Formula: | C10 H13 N O4 | | SMILES: | O=C(O)C(N)Cc1cc(OC)c(O)cc1 | | InChi: | InChI=1S/C10H13NO4/c1-15-9-5-6(2-3-8(9)12)4-7(11)10(13)14/h2-3,5,7,12H,4,11H2,1H3,(H,13,14)/t7-/m0/s1 | | Definition date: | 2012-10-29 | | Last modified: | 2023-11-03 | | Release date: | 2013-10-30 | | Identifier: | 3-methoxy-L-tyrosine |
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 | | IAM | | Name: | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | | Formula: | C13 H20 N2 O2 | | SMILES: | O=C(O)C(N)Cc1ccc(cc1)CNC(C)C | | InChi: | InChI=1S/C13H20N2O2/c1-9(2)15-8-11-5-3-10(4-6-11)7-12(14)13(16)17/h3-6,9,12,15H,7-8,14H2,1-2H3,(H,16,17)/t12-/m0/s1 | | Definition date: | 2004-11-19 | | Last modified: | 2023-11-03 | | Identifier: | 4-{[(1-methylethyl)amino]methyl}-L-phenylalanine |
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 | | IB9 | | Name: | Beta-tyrosine | | Formula: | C9 H11 N O3 | | SMILES: | N[CH](CC(O)=O)c1ccc(O)cc1 | | InChi: | InChI=1S/C9H11NO3/c10-8(5-9(12)13)6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 | | Synonyms: | (3S)-3-azanyl-3-(4-hydroxyphenyl)propanoic acid | | Definition date: | 2022-03-08 | | Last modified: | 2023-11-03 | | Release date: | 2023-01-18 | | Identifier: | (3~{S})-3-azanyl-3-(4-hydroxyphenyl)propanoic acid |
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 | | L3I | | Name: | 2-(3-chlorophenyl)-2-methyl-N-(4-methylpyridin-3-yl)propanamide | | Formula: | C16 H17 Cl N2 O | | SMILES: | O=C(Nc1cnccc1C)C(C)(C)c1cccc(Cl)c1 | | InChi: | InChI=1S/C16H17ClN2O/c1-11-7-8-18-10-14(11)19-15(20)16(2,3)12-5-4-6-13(17)9-12/h4-10H,1-3H3,(H,19,20) | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chlorophenyl)-2-methyl-N-(4-methylpyridin-3-yl)propanamide |
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 | | L5I | | Name: | (2R)-3-cyclopropyl-2-methyl-N-(4-methylpyridin-3-yl)propanamide | | Formula: | C13 H18 N2 O | | SMILES: | O=C(Nc1cnccc1C)C(C)CC1CC1 | | InChi: | InChI=1S/C13H18N2O/c1-9-5-6-14-8-12(9)15-13(16)10(2)7-11-3-4-11/h5-6,8,10-11H,3-4,7H2,1-2H3,(H,15,16)/t10-/m1/s1 | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (2R)-3-cyclopropyl-2-methyl-N-(4-methylpyridin-3-yl)propanamide |
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 | | LAC | | Name: | LACTIC ACID | | Formula: | C3 H6 O3 | | SMILES: | O=C(O)C(O)C | | InChi: | InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | (2R)-2-hydroxypropanoic acid |
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 | | LAL | | Name: | N,N-DIMETHYL-L-ALANINE | | Formula: | C5 H11 N O2 | | SMILES: | O=C(O)C(N(C)C)C | | InChi: | InChI=1S/C5H11NO2/c1-4(5(7)8)6(2)3/h4H,1-3H3,(H,7,8)/t4-/m0/s1 | | Definition date: | 2003-10-01 | | Last modified: | 2023-11-03 | | Identifier: | N,N-dimethyl-L-alanine |
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 | | 0WZ | | Name: | 3-(1H-pyrazol-1-yl)-L-tyrosine | | Formula: | C12 H13 N3 O3 | | SMILES: | O=C(O)C(N)Cc1ccc(O)c(c1)n2nccc2 | | InChi: | InChI=1S/C12H13N3O3/c13-9(12(17)18)6-8-2-3-11(16)10(7-8)15-5-1-4-14-15/h1-5,7,9,16H,6,13H2,(H,17,18)/t9-/m0/s1 | | Definition date: | 2012-08-16 | | Last modified: | 2023-11-03 | | Release date: | 2012-08-24 | | Identifier: | 3-(1H-pyrazol-1-yl)-L-tyrosine |
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 | | 0Y9 | | Name: | (1R,2S)-1-amino-2-ethenylcyclopropanecarboxylic acid | | Formula: | C6 H9 N O2 | | SMILES: | O=C(O)C1(N)CC1C=C | | InChi: | InChI=1S/C6H9NO2/c1-2-4-3-6(4,7)5(8)9/h2,4H,1,3,7H2,(H,8,9)/t4-,6-/m1/s1 | | Definition date: | 2012-09-12 | | Last modified: | 2023-11-03 | | Identifier: | (1R,2S)-1-amino-2-ethenylcyclopropanecarboxylic acid |
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