 | | IGL | | Name: | ALPHA-AMINO-2-INDANACETIC ACID | | Formula: | C11 H13 N O2 | | SMILES: | O=C(O)C(N)C2Cc1ccccc1C2 | | InChi: | InChI=1S/C11H13NO2/c12-10(11(13)14)9-5-7-3-1-2-4-8(7)6-9/h1-4,9-10H,5-6,12H2,(H,13,14)/t10-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | (2R)-amino(2,3-dihydro-1H-inden-2-yl)ethanoic acid |
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 | | 9JV | | Name: | 8-azanyl-4-methoxy-quinoline-2-carboxylic acid | | Formula: | C11 H10 N2 O3 | | SMILES: | COc1cc(nc2c(N)cccc12)C(O)=O | | InChi: | InChI=1S/C11H10N2O3/c1-16-9-5-8(11(14)15)13-10-6(9)3-2-4-7(10)12/h2-5H,12H2,1H3,(H,14,15) | | Definition date: | 2021-11-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-09-27 | | Identifier: | 8-azanyl-4-methoxy-quinoline-2-carboxylic acid |
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 | | 9KK | | Name: | N-methyl norleucine | | Formula: | C7 H15 N O2 | | SMILES: | CCCC[CH](NC)C(O)=O | | InChi: | InChI=1S/C7H15NO2/c1-3-4-5-6(8-2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)/t6-/m0/s1 | | Definition date: | 2017-05-30 | | Last modified: | 2023-11-03 | | Release date: | 2017-09-20 | | Identifier: | (2~{S})-2-(methylamino)hexanoic acid |
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 | | 9KP | | Name: | (E)-N~6~-[(2E)-1-carboxy-3-(2-carboxyphenyl)prop-2-en-1-ylidene]-L-lysine | | Formula: | C17 H20 N2 O6 | | SMILES: | C(/C(=O)O)(=NCCCCC(N)C(=O)O)C=Cc1c(C(O)=O)cccc1 | | InChi: | InChI=1S/C17H20N2O6/c18-13(16(22)23)7-3-4-10-19-14(17(24)25)9-8-11-5-1-2-6-12(11)15(20)21/h1-2,5-6,8-9,13H,3-4,7,10,18H2,(H,20,21)(H,22,23)(H,24,25)/b9-8+,19-14+/t13-/m0/s1 | | Definition date: | 2017-05-18 | | Last modified: | 2023-11-03 | | Release date: | 2019-04-10 | | Identifier: | (E)-N~6~-[(2E)-1-carboxy-3-(2-carboxyphenyl)prop-2-en-1-ylidene]-L-lysine |
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 | | IIC | | Name: | 4-IMIDAZOLMETHYLENE-5-IMIDAZOLONE CHROMOPHORE | | Formula: | C11 H15 N5 O4 | | SMILES: | O=C1C(=NC(N1CC(=O)O)C(N)CO)Cc2cncn2 | | InChi: | InChI=1S/C11H15N5O4/c12-7(4-17)10-15-8(1-6-2-13-5-14-6)11(20)16(10)3-9(18)19/h2,5,7,10,17H,1,3-4,12H2,(H,13,14)(H,18,19)/t7-,10-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | [(2S)-2-[(1R)-1-amino-2-hydroxyethyl]-4-(1H-imidazol-5-ylmethyl)-5-oxo-2,5-dihydro-1H-imidazol-1-yl]acetic acid |
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 | | IKJ | | Name: | (2~{S})-2-azanyl-3-[4-(1-boranyl-1$l^{5}-phospholan-1-yl)phenyl]propanoic acid | | Formula: | C13 H21 B N O2 P | | SMILES: | B[PH]1(CCCC1)c2ccc(C[CH](N)C(O)=O)cc2 | | InChi: | InChI=1S/C13H21BNO2P/c14-18(7-1-2-8-18)11-5-3-10(4-6-11)9-12(15)13(16)17/h3-6,12,18H,1-2,7-9,14-15H2,(H,16,17)/t12-/m0/s1 | | Synonyms: | P3F | | Definition date: | 2022-07-07 | | Last modified: | 2023-11-03 | | Release date: | 2023-07-26 | | Identifier: | (2~{S})-2-azanyl-3-[4-(1-boranyl-1$l^{5}-phospholan-1-yl)phenyl]propanoic acid |
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 | | ILY | | Name: | N~6~-propan-2-yl-L-lysine | | Formula: | C9 H20 N2 O2 | | SMILES: | O=C(O)C(N)CCCCNC(C)C | | InChi: | InChI=1S/C9H20N2O2/c1-7(2)11-6-4-3-5-8(10)9(12)13/h7-8,11H,3-6,10H2,1-2H3,(H,12,13)/t8-/m0/s1 | | Definition date: | 2012-12-12 | | Last modified: | 2023-11-03 | | Release date: | 2013-02-15 | | Identifier: | N~6~-propan-2-yl-L-lysine |
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 | | 9PR | | Name: | N-methyl-L-prolinamide | | Formula: | C6 H12 N2 O | | SMILES: | O=C(NC)C1NCCC1 | | InChi: | InChI=1S/C6H12N2O/c1-7-6(9)5-3-2-4-8-5/h5,8H,2-4H2,1H3,(H,7,9)/t5-/m0/s1 | | Definition date: | 2010-12-09 | | Last modified: | 2023-11-03 | | Identifier: | N-methyl-L-prolinamide |
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 | | 9R1 | | Name: | (2S)-2-aminooctanedioic acid | | Formula: | C8 H15 N O4 | | SMILES: | NC(CCCCCC(O)=O)C(O)=O | | InChi: | InChI=1S/C8H15NO4/c9-6(8(12)13)4-2-1-3-5-7(10)11/h6H,1-5,9H2,(H,10,11)(H,12,13)/t6-/m0/s1 | | Definition date: | 2017-06-01 | | Last modified: | 2023-11-03 | | Release date: | 2017-11-15 | | Identifier: | (2S)-2-aminooctanedioic acid |
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 | | IO6 | | Name: | 1,1,3-tris(oxidanylidene)-2-pentyl-1,2-benzothiazole-6-sulfonamide | | Formula: | C12 H16 N2 O5 S2 | | SMILES: | CCCCCN1C(=O)c2ccc(cc2[S]1(=O)=O)[S](N)(=O)=O | | InChi: | InChI=1S/C12H16N2O5S2/c1-2-3-4-7-14-12(15)10-6-5-9(20(13,16)17)8-11(10)21(14,18)19/h5-6,8H,2-4,7H2,1H3,(H2,13,16,17) | | Definition date: | 2023-08-02 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 1,1,3-tris(oxidanylidene)-2-pentyl-1,2-benzothiazole-6-sulfonamide |
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 | | IO8 | | Name: | 2-[2-(aminomethyl)-4-(1H-indol-3-ylmethyl)-5-oxidanylidene-4H-imidazol-1-yl]ethanoic acid | | Formula: | C15 H14 N4 O3 | | SMILES: | NCC1=NC(=Cc2c[nH]c3ccccc23)C(=O)N1CC(O)=O | | InChi: | InChI=1S/C15H14N4O3/c16-6-13-18-12(15(22)19(13)8-14(20)21)5-9-7-17-11-4-2-1-3-10(9)11/h1-5,7,17H,6,8,16H2,(H,20,21)/b12-5- | | Synonyms: | CHROMOPHORE (GLY-TRP-GLY) | | Definition date: | 2022-04-01 | | Last modified: | 2023-11-03 | | Release date: | 2022-05-04 | | Identifier: | 2-[(4~{Z})-2-(aminomethyl)-4-(1~{H}-indol-3-ylmethylidene)-5-oxidanylidene-imidazol-1-yl]ethanoic acid |
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 | | 9R7 | | Name: | L-gamma-glutamylglycine | | Formula: | C7 H12 N2 O5 | | SMILES: | NC(CCC(NCC(O)=O)=O)C(=O)O | | InChi: | InChI=1S/C7H12N2O5/c8-4(7(13)14)1-2-5(10)9-3-6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)(H,13,14)/t4-/m0/s1 | | Definition date: | 2017-06-02 | | Last modified: | 2023-11-03 | | Release date: | 2017-11-15 | | Identifier: | L-gamma-glutamylglycine |
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 | | IOY | | Name: | P-IODO-D-PHENYLALANINE | | Formula: | C9 H10 I N O2 | | SMILES: | Ic1ccc(cc1)CC(C(=O)O)N | | InChi: | InChI=1S/C9H10INO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1 | | Synonyms: | 4-IODOPHENYLALANINE | | Definition date: | 2004-09-14 | | Last modified: | 2023-11-03 | | Identifier: | 4-iodo-D-phenylalanine |
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 | | IP8 | | Name: | Isopentenyl phosphate | | Formula: | C5 H11 O4 P | | SMILES: | O=P(OCCC(=C)C)(O)O | | InChi: | InChI=1S/C5H11O4P/c1-5(2)3-4-9-10(6,7)8/h1,3-4H2,2H3,(H2,6,7,8) | | Synonyms: | 3-methylbut-3-en-1-yl dihydrogen phosphate | | Definition date: | 2009-10-21 | | Last modified: | 2023-11-03 | | Identifier: | 3-methylbut-3-en-1-yl dihydrogen phosphate |
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 | | IPI | | Name: | 3-methylbutylphosphonic acid | | Formula: | C5 H13 O3 P | | SMILES: | CC(C)CC[P](O)(O)=O | | InChi: | InChI=1S/C5H13O3P/c1-5(2)3-4-9(6,7)8/h5H,3-4H2,1-2H3,(H2,6,7,8) | | Synonyms: | isoamylphosphonic acid | | Definition date: | 2011-01-21 | | Last modified: | 2023-11-03 | | Identifier: | 3-methylbutylphosphonic acid |
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 | | 9SO | | Name: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-3,5-dihydroxy-4-(phosphonooxy)oxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) | | Formula: | C15 H24 N5 O17 P3 | | SMILES: | OP(=O)(O)OC1C(O)C(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)OC1O | | InChi: | InChI=1S/C15H24N5O17P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(34-14)1-32-39(28,29)37-40(30,31)33-2-6-9(22)11(15(24)35-6)36-38(25,26)27/h3-6,8-11,14-15,21-24H,1-2H2,(H,28,29)(H,30,31)(H2,16,17,18)(H2,25,26,27)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1 | | Definition date: | 2023-07-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-3,5-dihydroxy-4-(phosphonooxy)oxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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 | | IQ2 | | Name: | 2-but-2-ynyl-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-sulfonamide | | Formula: | C11 H10 N2 O5 S2 | | SMILES: | CC#CCN1C(=O)c2ccc(cc2[S]1(=O)=O)[S](N)(=O)=O | | InChi: | InChI=1S/C11H10N2O5S2/c1-2-3-6-13-11(14)9-5-4-8(19(12,15)16)7-10(9)20(13,17)18/h4-5,7H,6H2,1H3,(H2,12,15,16) | | Definition date: | 2023-08-02 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-but-2-ynyl-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-sulfonamide |
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 | | IQE | | Name: | 1,1,3-tris(oxidanylidene)-2-(2-phenylethyl)-1,2-benzothiazole-6-sulfonamide | | Formula: | C15 H14 N2 O5 S2 | | SMILES: | N[S](=O)(=O)c1ccc2C(=O)N(CCc3ccccc3)[S](=O)(=O)c2c1 | | InChi: | InChI=1S/C15H14N2O5S2/c16-23(19,20)12-6-7-13-14(10-12)24(21,22)17(15(13)18)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,16,19,20) | | Definition date: | 2023-08-02 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 1,1,3-tris(oxidanylidene)-2-(2-phenylethyl)-1,2-benzothiazole-6-sulfonamide |
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 | | 9V7 | | Name: | phenylcarbamic acid | | Formula: | C7 H7 N O2 | | SMILES: | N(C(O)=O)c1ccccc1 | | InChi: | InChI=1S/C7H7NO2/c9-7(10)8-6-4-2-1-3-5-6/h1-5,8H,(H,9,10) | | Definition date: | 2017-06-13 | | Last modified: | 2023-11-03 | | Release date: | 2017-08-09 | | Identifier: | phenylcarbamic acid |
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 | | J7H | | Name: | (2~{R})-2-azanyl-2-methyl-heptanoic acid | | Formula: | C8 H17 N O2 | | SMILES: | CCCCC[C](C)(N)C(O)=O | | InChi: | InChI=1S/C8H17NO2/c1-3-4-5-6-8(2,9)7(10)11/h3-6,9H2,1-2H3,(H,10,11)/t8-/m1/s1 | | Definition date: | 2019-02-08 | | Last modified: | 2023-11-03 | | Release date: | 2019-10-02 | | Identifier: | (2~{R})-2-azanyl-2-methyl-heptanoic acid |
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 | | 9WV | | Name: | beta-alanyl-3-amino-L-alanine | | Formula: | C6 H13 N3 O3 | | SMILES: | NCC(NC(=O)CCN)C(O)=O | | InChi: | InChI=1S/C6H13N3O3/c7-2-1-5(10)9-4(3-8)6(11)12/h4H,1-3,7-8H2,(H,9,10)(H,11,12)/t4-/m0/s1 | | Definition date: | 2017-06-20 | | Last modified: | 2023-11-03 | | Release date: | 2017-10-04 | | Identifier: | beta-alanyl-3-amino-L-alanine |
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 | | J8W | | Name: | (2~{S})-2-azanyl-3-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-propanoic acid | | Formula: | C6 H9 N O6 | | SMILES: | N[CH](COC(=O)CC(O)=O)C(O)=O | | InChi: | InChI=1S/C6H9NO6/c7-3(6(11)12)2-13-5(10)1-4(8)9/h3H,1-2,7H2,(H,8,9)(H,11,12)/t3-/m0/s1 | | Definition date: | 2019-02-11 | | Last modified: | 2023-11-03 | | Release date: | 2020-03-18 | | Identifier: | (2~{S})-2-azanyl-3-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-propanoic acid |
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 | | 9XQ | | Name: | [azanyl-[(3-carboxyphenyl)amino]methylidene]azanium | | Formula: | C8 H10 N3 O2 | | SMILES: | NC(=[NH2+])Nc1cccc(c1)C(O)=O | | InChi: | InChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)/p+1 | | Definition date: | 2017-07-27 | | Last modified: | 2023-11-03 | | Release date: | 2018-06-06 | | Identifier: | [azanyl-[(3-carboxyphenyl)amino]methylidene]azanium |
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 | | J9A | | Name: | N-[(2S)-2-amino-2-carboxyethyl]-L-alpha-glutamine | | Formula: | C8 H15 N3 O5 | | SMILES: | O=C(O)CCC(N)C(=O)NCC(C(=O)O)N | | InChi: | InChI=1S/C8H15N3O5/c9-4(1-2-6(12)13)7(14)11-3-5(10)8(15)16/h4-5H,1-3,9-10H2,(H,11,14)(H,12,13)(H,15,16)/t4-,5-/m0/s1 | | Definition date: | 2018-08-24 | | Last modified: | 2023-11-03 | | Release date: | 2019-08-14 | | Identifier: | N-[(2S)-2-amino-2-carboxyethyl]-L-alpha-glutamine |
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 | | JBY | | Name: | (2S)-2-{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}propanoic acid | | Formula: | C14 H15 N3 O4 | | SMILES: | C1(=NC(C(=O)N1C(C(=O)O)C)=C/c2ccc(O)cc2)CN | | InChi: | InChI=1S/C14H15N3O4/c1-8(14(20)21)17-12(7-15)16-11(13(17)19)6-9-2-4-10(18)5-3-9/h2-6,8,18H,7,15H2,1H3,(H,20,21)/b11-6-/t8-/m0/s1 | | Synonyms: | Gly-Ala-Try Chromophore | | Definition date: | 2018-08-29 | | Last modified: | 2023-11-03 | | Release date: | 2019-03-13 | | Identifier: | (2S)-2-{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}propanoic acid |
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