 | | HIC | | Name: | 4-METHYL-HISTIDINE | | Formula: | C7 H11 N3 O2 | | SMILES: | O=C(O)C(N)Cc1ncn(c1)C | | InChi: | InChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 1-methyl-L-histidine |
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 | | HIN | | Name: | (2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-CHLOROETHYLKETONE | | Formula: | C16 H21 Cl N2 O3 | | SMILES: | ClCCC(=O)C(NC(=O)C(NC(=O)C)C)Cc1ccccc1 | | InChi: | InChI=1S/C16H21ClN2O3/c1-11(18-12(2)20)16(22)19-14(15(21)8-9-17)10-13-6-4-3-5-7-13/h3-7,11,14H,8-10H2,1-2H3,(H,18,20)(H,19,22)/t11-,14-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | N~2~-acetyl-N-[(1S)-1-benzyl-4-chloro-2-oxobutyl]-L-alaninamide |
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 | | HIP | | Name: | ND1-PHOSPHONOHISTIDINE | | Formula: | C6 H11 N3 O5 P | | SMILES: | O=P(O)(O)n1c(c[nH+]c1)CC(C(=O)O)N | | InChi: | InChI=1S/C6H10N3O5P/c7-5(6(10)11)1-4-2-8-3-9(4)15(12,13)14/h2-3,5H,1,7H2,(H,10,11)(H2,12,13,14)/p+1/t5-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 3-(1-phosphono-1H-imidazol-3-ium-5-yl)-L-alanine |
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 | | HIQ | | Name: | 1-[1,2-DIHYDROXY-1-(HYDROXYMETHYL)ETHYL]-L-HISTIDINE | | Formula: | C9 H15 N3 O5 | | SMILES: | O=C(O)C(N)Cc1ncn(c1)C(O)(CO)CO | | InChi: | InChI=1S/C9H15N3O5/c10-7(8(15)16)1-6-2-12(5-11-6)9(17,3-13)4-14/h2,5,7,13-14,17H,1,3-4,10H2,(H,15,16)/t7-/m0/s1 | | Definition date: | 2006-05-27 | | Last modified: | 2024-09-27 | | Identifier: | 1-[1,2-dihydroxy-1-(hydroxymethyl)ethyl]-L-histidine |
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 | | 2L5 | | Name: | 2-chloro-L-phenylalanine | | Formula: | C9 H10 Cl N O2 | | SMILES: | Clc1ccccc1CC(C(=O)O)N | | InChi: | InChI=1S/C9H10ClNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1 | | Definition date: | 2013-11-25 | | Last modified: | 2024-09-27 | | Release date: | 2014-10-15 | | Identifier: | 2-chloro-L-phenylalanine |
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 | | HIX | | Name: | 3-(1H-1,2,3-triazol-5-yl)-L-alanine | | Formula: | C5 H8 N4 O2 | | SMILES: | NC(C(O)=O)Cc1nnnc1 | | InChi: | InChI=1S/C5H8N4O2/c6-4(5(10)11)1-3-2-7-9-8-3/h2,4H,1,6H2,(H,10,11)(H,7,8,9)/t4-/m0/s1 | | Definition date: | 2015-05-26 | | Last modified: | 2024-09-27 | | Release date: | 2016-02-03 | | Identifier: | 3-(1H-1,2,3-triazol-5-yl)-L-alanine |
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 | | HJA | | Name: | (2S)-3-amino-2-{[(4-cyclohexylbutoxy)carbonyl]amino}propanethioic S-acid | | Formula: | C14 H26 N2 O3 S | | SMILES: | NCC(C(=O)S)NC(OCCCCC1CCCCC1)=O | | InChi: | InChI=1S/C14H26N2O3S/c15-10-12(13(17)20)16-14(18)19-9-5-4-8-11-6-2-1-3-7-11/h11-12H,1-10,15H2,(H,16,18)(H,17,20)/t12-/m0/s1 | | Definition date: | 2018-07-03 | | Last modified: | 2024-09-27 | | Release date: | 2018-09-26 | | Identifier: | (2S)-3-amino-2-{[(4-cyclohexylbutoxy)carbonyl]amino}propanethioic S-acid |
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 | | 2LT | | Name: | 3,5-dichloro-L-tyrosine | | Formula: | C9 H9 Cl2 N O3 | | SMILES: | Clc1cc(cc(Cl)c1O)CC(C(=O)O)N | | InChi: | InChI=1S/C9H9Cl2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1 | | Definition date: | 2013-12-18 | | Last modified: | 2024-09-27 | | Release date: | 2014-09-24 | | Identifier: | 3,5-dichloro-L-tyrosine |
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 | | HJY | | Name: | 4-iodo-N-methyl-D-phenylalanine | | Formula: | C10 H12 I N O2 | | SMILES: | CNC(Cc1ccc(I)cc1)C(O)=O | | InChi: | InChI=1S/C10H12INO2/c1-12-9(10(13)14)6-7-2-4-8(11)5-3-7/h2-5,9,12H,6H2,1H3,(H,13,14)/t9-/m1/s1 | | Definition date: | 2018-07-09 | | Last modified: | 2024-09-27 | | Release date: | 2018-10-17 | | Identifier: | 4-iodo-N-methyl-D-phenylalanine |
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 | | 2OP | | Name: | (2S)-2-HYDROXYPROPANOIC 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-/m0/s1 | | Definition date: | 2004-12-29 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-2-hydroxypropanoic acid |
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 | | HMG | | Name: | 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A | | Formula: | C27 H39 N7 O20 P3 S | | SMILES: | [O-]C(=O)CC(O)(C)CC(=O)SCCNC(=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/C27H44N7O20P3S/c1-26(2,21(40)24(41)30-5-4-15(35)29-6-7-58-17(38)9-27(3,42)8-16(36)37)11-51-57(48,49)54-56(46,47)50-10-14-20(53-55(43,44)45)19(39)25(52-14)34-13-33-18-22(28)31-12-32-23(18)34/h12-14,19-21,25,39-40,42H,4-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/p-5/t14-,19-,20-,21+,25-,27+/m1/s1 | | Synonyms: | (S)-HMG-COA | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (9R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)tetrahydrofuran-2-yl]-9,21-dihydroxy-8,8,21-trimethyl-3,5-dioxido-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oate 3,5-dioxide (non-preferred name) |
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 | | HNC | | Name: | S-[(1S,2R)-2-hydroxy-1-(2-oxoethyl)heptyl]-L-cysteine | | Formula: | C12 H23 N O4 S | | SMILES: | O=C(O)C(N)CSC(C(O)CCCCC)CC=O | | InChi: | InChI=1S/C12H23NO4S/c1-2-3-4-5-10(15)11(6-7-14)18-8-9(13)12(16)17/h7,9-11,15H,2-6,8,13H2,1H3,(H,16,17)/t9-,10+,11-/m0/s1 | | Synonyms: | Cysteine covalently modified with 4-hydroxy-2-nonenal | | Definition date: | 2009-09-17 | | Last modified: | 2024-09-27 | | Identifier: | S-[(3S,4R)-4-hydroxy-1-oxononan-3-yl]-L-cysteine |
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 | | 2R3 | | Name: | (betaR)-beta-hydroxy-O-methyl-L-tyrosine | | Formula: | C10 H13 N O4 | | SMILES: | O=C(O)C(N)C(O)c1ccc(OC)cc1 | | InChi: | InChI=1S/C10H13NO4/c1-15-7-4-2-6(3-5-7)9(12)8(11)10(13)14/h2-5,8-9,12H,11H2,1H3,(H,13,14)/t8-,9+/m0/s1 | | Definition date: | 2014-01-10 | | Last modified: | 2024-09-27 | | Release date: | 2014-04-02 | | Identifier: | (betaR)-beta-hydroxy-O-methyl-L-tyrosine |
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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: | 2024-09-27 | | Release date: | 2019-02-27 | | Identifier: | (2~{S})-2-azanyl-3-[2,5-bis(oxidanylidene)imidazol-4-yl]propanoic acid |
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 | | 2RA | | Name: | 3-amino-D-alanine | | Formula: | C3 H8 N2 O2 | | SMILES: | O=C(O)C(N)CN | | InChi: | InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)/t2-/m1/s1 | | Synonyms: | diaminopropanoic acid | | Definition date: | 2010-09-27 | | Last modified: | 2024-09-27 | | Identifier: | 3-amino-D-alanine |
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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: | 2024-09-27 | | Identifier: | 4-amino-L-phenylalanine |
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 | | 2RI | | Name: | (2~{R})-~{N}-dibenzofuran-3-yl-~{N}-[(1~{R})-2-[[(1~{S})-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2-oxidanyl-propanamide | | Formula: | C30 H26 F N3 O4 | | SMILES: | C[CH](O)C(=O)N([CH](C(=O)N[CH](C)c1ccc(F)cc1)c2cccnc2)c3ccc4c(oc5ccccc45)c3 | | InChi: | InChI=1S/C30H26FN3O4/c1-18(20-9-11-22(31)12-10-20)33-29(36)28(21-6-5-15-32-17-21)34(30(37)19(2)35)23-13-14-25-24-7-3-4-8-26(24)38-27(25)16-23/h3-19,28,35H,1-2H3,(H,33,36)/t18-,19+,28+/m0/s1 | | Definition date: | 2021-07-09 | | Last modified: | 2024-09-27 | | Release date: | 2021-07-21 | | Identifier: | (2~{R})-~{N}-dibenzofuran-3-yl-~{N}-[(1~{R})-2-[[(1~{S})-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2-oxidanyl-propanamide |
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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: | 2024-09-27 | | 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: | 2024-09-27 | | Identifier: | (2S)-2-amino-3-phenylpropane-1,1-diol |
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 | | 2RX | | Name: | O-thiophosphono-L-serine | | Formula: | C3 H8 N O5 P S | | SMILES: | O=P(OCC(C(=O)O)N)(O)S | | InChi: | InChI=1S/C3H8NO5PS/c4-2(3(5)6)1-9-10(7,8)11/h2H,1,4H2,(H,5,6)(H2,7,8,11)/t2-/m0/s1 | | Definition date: | 2014-01-14 | | Last modified: | 2024-09-27 | | Release date: | 2014-05-28 | | Identifier: | O-thiophosphono-L-serine |
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 | | 2SO | | Name: | 3-{3-[(3R)-3,4-dihydroxybutyl]-1-(8-phenyloctyl)-1H-imidazol-3-ium-5-yl}-L-alanine | | Formula: | C24 H38 N3 O4 | | SMILES: | O=C(O)C(N)Cc1c[n+](cn1CCCCCCCCc2ccccc2)CCC(O)CO | | InChi: | InChI=1S/C24H37N3O4/c25-23(24(30)31)16-21-17-26(15-13-22(29)18-28)19-27(21)14-9-4-2-1-3-6-10-20-11-7-5-8-12-20/h5,7-8,11-12,17,19,22-23,28-29H,1-4,6,9-10,13-16,18,25H2/p+1/t22-,23+/m1/s1 | | Definition date: | 2014-01-23 | | Last modified: | 2024-09-27 | | Release date: | 2014-01-29 | | Identifier: | 3-{3-[(3R)-3,4-dihydroxybutyl]-1-(8-phenyloctyl)-1H-imidazol-3-ium-5-yl}-L-alanine |
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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: | 2024-09-27 | | Identifier: | 3-(8-hydroxyquinolin-3-yl)-L-alanine |
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 | | 2TY | | Name: | 2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}-L-TYROSINE | | Formula: | C17 H18 N2 O4 | | SMILES: | O=C(O)C(N)Cc2cc(N=CCc1ccccc1)c(O)cc2O | | 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/h1-5,7,9-10,13,20-21H,6,8,18H2,(H,22,23)/b19-7+/t13-/m0/s1 | | Definition date: | 2005-07-07 | | Last modified: | 2024-09-27 | | Identifier: | 2-hydroxy-5-{[(1E)-2-phenylethylidene]amino}-L-tyrosine |
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 | | 2U4 | | Name: | (4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid | | Formula: | C25 H24 N6 O14 S | | SMILES: | O=C(O)C(N2C(=O)c1cc(O)c(O)cc1C2=O)CC(=NOCC(C=O)NC(=O)C(=NOC(C(=O)O)(C)C)/c3nc(sc3)N)/C(=O)O | | InChi: | InChI=1S/C25H24N6O14S/c1-25(2,23(42)43)45-30-17(13-8-46-24(26)28-13)18(35)27-9(6-32)7-44-29-12(21(38)39)5-14(22(40)41)31-19(36)10-3-15(33)16(34)4-11(10)20(31)37/h3-4,6,8-9,14,33-34H,5,7H2,1-2H3,(H2,26,28)(H,27,35)(H,38,39)(H,40,41)(H,42,43)/b29-12+,30-17-/t9-,14+/m1/s1 | | Definition date: | 2014-02-04 | | Last modified: | 2024-09-27 | | Release date: | 2014-05-07 | | Identifier: | (4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid |
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 | | 2UH | | Name: | N-[3-(propanoylamino)propyl]guanosine 5'-(trihydrogen diphosphate) | | Formula: | C16 H26 N6 O12 P2 | | SMILES: | O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(NCCCNC(=O)CC)NC1=O)C(O)C3O | | InChi: | InChI=1S/C16H26N6O12P2/c1-2-9(23)17-4-3-5-18-16-20-13-10(14(26)21-16)19-7-22(13)15-12(25)11(24)8(33-15)6-32-36(30,31)34-35(27,28)29/h7-8,11-12,15,24-25H,2-6H2,1H3,(H,17,23)(H,30,31)(H2,27,28,29)(H2,18,20,21,26)/t8-,11-,12-,15-/m1/s1 | | Definition date: | 2014-05-08 | | Last modified: | 2024-09-27 | | Release date: | 2014-05-28 | | Identifier: | N-[3-(propanoylamino)propyl]guanosine 5'-(trihydrogen diphosphate) |
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