 | | 48Z | | Name: | 2-deoxy-2-fluoro-5-O-thiophosphono-alpha-D-arabinofuranose | | Formula: | C5 H10 F O6 P S | | SMILES: | FC1C(O)C(OC1O)COP(=O)(O)S | | InChi: | InChI=1S/C5H10FO6PS/c6-3-4(7)2(12-5(3)8)1-11-13(9,10)14/h2-5,7-8H,1H2,(H2,9,10,14)/t2-,3+,4-,5+/m1/s1 | | Definition date: | 2011-05-11 | | Last modified: | 2024-09-27 | | Identifier: | 2-deoxy-2-fluoro-5-O-thiophosphono-alpha-D-arabinofuranose |
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 | | OCX | | Name: | (5E,11E,14E)-8-oxoicosa-5,9,11,14-tetraenoic acid | | Formula: | C20 H30 O3 | | SMILES: | O=C(C=CC=CC/C=C/CCCCC)C/C=C/CCCC(=O)O | | InChi: | InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b7-6+,10-9+,14-11+,16-13? | | Synonyms: | 8-oxo-eicosatetraenoic acid | | Definition date: | 2008-03-17 | | Last modified: | 2024-09-27 | | Identifier: | (5E,9E,11E,14E)-8-oxoicosa-5,9,11,14-tetraenoic acid |
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 | | NXN | | Name: | 2-(2,4-DICHLORO-PHENOXY)-N-(2-MERCAPTO-ETHYL)-ACETAMIDE | | Formula: | C10 H11 Cl2 N O2 S | | SMILES: | Clc1cc(Cl)ccc1OCC(=O)NCCS | | InChi: | InChI=1S/C10H11Cl2NO2S/c11-7-1-2-9(8(12)5-7)15-6-10(14)13-3-4-16/h1-2,5,16H,3-4,6H2,(H,13,14) | | Synonyms: | DICA | | Definition date: | 2004-02-27 | | Last modified: | 2024-09-27 | | Identifier: | 2-(2,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide |
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 | | OCY | | Name: | HYDROXYETHYLCYSTEINE | | Formula: | C5 H11 N O3 S | | SMILES: | O=C(O)C(N)CSCCO | | InChi: | InChI=1S/C5H11NO3S/c6-4(5(8)9)3-10-2-1-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | S-(2-hydroxyethyl)-L-cysteine |
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 | | KAC | | Name: | 4-(benzoylamino)butanoic acid | | Formula: | C11 H13 N O3 | | SMILES: | O=C(NCCCC(=O)O)c1ccccc1 | | InChi: | InChI=1S/C11H13NO3/c13-10(14)7-4-8-12-11(15)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,15)(H,13,14) | | Definition date: | 2014-10-07 | | Last modified: | 2024-09-27 | | Release date: | 2014-12-03 | | Identifier: | 4-(benzoylamino)butanoic acid |
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 | | VMM | | Name: | ETX0462 (Bound form) | | Formula: | C10 H16 N6 O7 S | | SMILES: | c12cnn(C)c1C(C(NC)=NO)N(C(=O)O)CC2NOS(=O)(O)=O | | InChi: | InChI=1S/C10H16N6O7S/c1-11-9(13-19)8-7-5(3-12-15(7)2)6(4-16(8)10(17)18)14-23-24(20,21)22/h3,6,8,14,19H,4H2,1-2H3,(H,11,13)(H,17,18)(H,20,21,22)/t6-,8-/m0/s1 | | Synonyms: | (4R,7S)-7-(N'-hydroxy-N-methylcarbamimidoyl)-1-methyl-4-[(sulfooxy)amino]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylic acid | | Definition date: | 2020-08-27 | | Last modified: | 2024-09-27 | | Release date: | 2021-05-26 | | Identifier: | (4R,7S)-7-(N'-hydroxy-N-methylcarbamimidoyl)-1-methyl-4-[(sulfooxy)amino]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylic acid |
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 | | ZXW | | Name: | 5'-O-[(S)-{[(R)-{[(R)-[(2-{[(2S)-2-amino-3-oxopropyl]amino}-2-oxoethyl)sulfanyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine | | Formula: | C15 H24 N7 O15 P3 S | | SMILES: | NC(CNC(CSP(OP(OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)(=O)O)(O)=O)=O)C=O | | InChi: | InChI=1S/C15H24N7O15P3S/c16-6(15(26)27)1-18-8(23)3-41-40(32,33)37-39(30,31)36-38(28,29)34-2-7-10(24)11(25)14(35-7)22-5-21-9-12(17)19-4-20-13(9)22/h4-7,10-11,14,24-25H,1-3,16H2,(H,18,23)(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H2,17,19,20)/t6-,7+,10+,11+,14+/m0/s1 | | Definition date: | 2018-01-18 | | Last modified: | 2024-09-27 | | Release date: | 2018-08-22 | | Identifier: | 5'-O-[(S)-{[(R)-{[(R)-[(2-{[(2S)-2-amino-3-oxopropyl]amino}-2-oxoethyl)sulfanyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine |
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 | | SFD | | Name: | (S)-10-((2S,3S,4R)-5-((S)-((S)-(((2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHOXY)(HYDROXY)PHOSPHORYLOXY)(HYDROXY)PHOSPHORYLOXY)-2,3,4-TRIHYDROXYPENTYL)-7,8-DIMETHYL-2,4-DIOXO-2,3,4,4A-TETRAHYDROBENZO[G]PTERIDINE-5(10H)-SULFONIC ACID | | Formula: | C27 H35 N9 O18 P2 S | | SMILES: | O=S(=O)(O)N2c1cc(c(cc1N(C3=NC(=O)NC(=O)C23)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C | | InChi: | InChI=1S/C27H35N9O18P2S/c1-10-3-12-13(4-11(10)2)36(57(48,49)50)18-24(32-27(43)33-25(18)42)34(12)5-14(37)19(39)15(38)6-51-55(44,45)54-56(46,47)52-7-16-20(40)21(41)26(53-16)35-9-31-17-22(28)29-8-30-23(17)35/h3-4,8-9,14-16,18-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,33,42,43)(H,48,49,50)/t14-,15+,16+,18-,19-,20+,21+,26+/m0/s1 | | Synonyms: | N5-SULFONO FLAVIN-ADENINE DINUCLEOTIDE | | Definition date: | 2006-01-11 | | Last modified: | 2024-09-27 | | Identifier: | (4aS)-10-[(2S,3S,4R)-5-{[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-2,3,4-trihydroxypentyl]-7,8-dimethyl-2,4-dioxo-2,4,4a,10-tetrahydrobenzo[g]pteridine-5(3H)-sulfonic acid (non-preferred name) |
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 | | PLF | | Name: | 2-[5-(1-AMINO-2-METHYL-BUTYL)-[1,2,3]TRIAZOL-1-YL]-PROPIONIC ACID | | Formula: | C9 H14 N4 O2 | | SMILES: | O=C(O)C(n1nnc(c1)C2NCCC2)C | | InChi: | InChI=1S/C9H14N4O2/c1-6(9(14)15)13-5-8(11-12-13)7-3-2-4-10-7/h5-7,10H,2-4H2,1H3,(H,14,15)/t6-,7-/m0/s1 | | Definition date: | 2011-12-08 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-2-{4-[(2S)-pyrrolidin-2-yl]-1H-1,2,3-triazol-1-yl}propanoic acid |
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 | | SFE | | Name: | (3S)-3-amino-3-phenylpropanoic acid | | Formula: | C9 H11 N O2 | | SMILES: | O=C(O)CC(N)c1ccccc1 | | InChi: | InChI=1S/C9H11NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 | | Synonyms: | S-BETA-PHENYLALANINE | | Definition date: | 2011-05-30 | | Last modified: | 2024-09-27 | | Identifier: | (3S)-3-amino-3-phenylpropanoic acid |
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 | | RZZ | | Name: | 1-Hydroxy-1,3-dihydro-2,1-benzoxaborole-6-carboxylic acid | | Formula: | C8 H7 B O4 | | SMILES: | OB1OCc2ccc(cc12)C(O)=O | | InChi: | InChI=1S/C8H7BO4/c10-8(11)5-1-2-6-4-13-9(12)7(6)3-5/h1-3,12H,4H2,(H,10,11) | | Synonyms: | 1-methyl-3H-2,1-benzoxaborole-6-carboxylic acid | | Definition date: | 2020-11-04 | | Last modified: | 2024-09-27 | | Release date: | 2021-08-11 | | Identifier: | 1-oxidanyl-3~{H}-2,1-benzoxaborole-6-carboxylic acid |
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 | | STH | | Name: | 2-AMINO-4H-1,3-BENZOXATHIIN-4-OL | | Formula: | C8 H9 N O2 S | | SMILES: | O2c1ccccc1C(O)SC2N | | InChi: | InChI=1S/C8H9NO2S/c9-8-11-6-4-2-1-3-5(6)7(10)12-8/h1-4,7-8,10H,9H2/t7-,8+/m1/s1 | | Definition date: | 2004-11-03 | | Last modified: | 2024-09-27 | | Identifier: | (2S,4R)-2-amino-4H-1,3-benzoxathiin-4-ol |
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 | | PLG | | Name: | N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE] | | Formula: | C10 H15 N2 O7 P | | SMILES: | O=P(O)(O)OCc1cnc(c(O)c1CNCC(=O)O)C | | InChi: | InChI=1S/C10H15N2O7P/c1-6-10(15)8(3-11-4-9(13)14)7(2-12-6)5-19-20(16,17)18/h2,11,15H,3-5H2,1H3,(H,13,14)(H2,16,17,18) | | Synonyms: | N-PYRIDOXYL-GLYCINE-5-MONOPHOSPHATE | | Definition date: | 1999-12-01 | | Last modified: | 2024-09-27 | | Identifier: | N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)glycine |
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 | | XAY | | Name: | 2-{[(2S)-2-cyano-3-{3-[(4-methylbenzene-1-carbonyl)amino]phenyl}propanoyl]amino}benzoic acid | | Formula: | C25 H21 N3 O4 | | SMILES: | OC(=O)c1ccccc1NC(=O)C(C#N)Cc2cc(ccc2)NC(c3ccc(cc3)C)=O | | InChi: | InChI=1S/C25H21N3O4/c1-16-9-11-18(12-10-16)23(29)27-20-6-4-5-17(14-20)13-19(15-26)24(30)28-22-8-3-2-7-21(22)25(31)32/h2-12,14,19H,13H2,1H3,(H,27,29)(H,28,30)(H,31,32)/t19-/m0/s1 | | Definition date: | 2020-12-08 | | Last modified: | 2024-09-27 | | Release date: | 2021-12-15 | | Identifier: | 2-{[(2S)-2-cyano-3-{3-[(4-methylbenzene-1-carbonyl)amino]phenyl}propanoyl]amino}benzoic acid |
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 | | MB8 | | Name: | (2Z)-2-methylbut-2-enoic acid | | Formula: | C5 H8 O2 | | SMILES: | O=C(O)C(=C/C)C | | InChi: | InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3- | | Definition date: | 2012-09-21 | | Last modified: | 2024-09-27 | | Release date: | 2014-05-07 | | Identifier: | (2Z)-2-methylbut-2-enoic acid |
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 | | ZHH | | Name: | 2-(4-METHOXYPHENYL)ETHANAMINE | | Formula: | C9 H13 N O | | SMILES: | O(c1ccc(cc1)CCN)C | | InChi: | InChI=1S/C9H13NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7,10H2,1H3 | | Definition date: | 2006-10-27 | | Last modified: | 2024-09-27 | | Identifier: | 2-(4-methoxyphenyl)ethanamine |
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 | | WHL | | Name: | N,N'-(1,4-phenylene)diacetamide | | Formula: | C10 H12 N2 O2 | | SMILES: | O=C(C)Nc1ccc(cc1)NC(C)=O | | InChi: | InChI=1S/C10H12N2O2/c1-7(13)11-9-3-5-10(6-4-9)12-8(2)14/h3-6H,1-2H3,(H,11,13)(H,12,14) | | Definition date: | 2022-05-04 | | Last modified: | 2024-09-27 | | Release date: | 2022-12-28 | | Identifier: | N,N'-(1,4-phenylene)diacetamide |
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 | | U1M | | Name: | 1-{4-[(2,4-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one | | Formula: | C14 H20 N2 O3 S | | SMILES: | N2(CCN(S(c1ccc(cc1C)C)(=O)=O)CC2)C(C)=O | | InChi: | InChI=1S/C14H20N2O3S/c1-11-4-5-14(12(2)10-11)20(18,19)16-8-6-15(7-9-16)13(3)17/h4-5,10H,6-9H2,1-3H3 | | Definition date: | 2020-04-08 | | Last modified: | 2024-09-27 | | Release date: | 2020-04-15 | | Identifier: | 1-{4-[(2,4-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one |
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 | | KP9 | | Name: | Bilin 618 (single linked) | | Formula: | C33 H36 N4 O6 | | SMILES: | O=C(O)CCc1c(C)c(/C=C2NC(=O)C(C)=C2CC)[NH]c1/C=C1N=C(CC2NC(=O)C(C=C)=C2C)C(C)=C1/C=C/C(=O)O | | InChi: | InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8-9,11,14-15,26,35H,2,7,10,12-13H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b11-9+,27-14-,28-15-/t26-/m1/s1 | | Synonyms: | (1R,4S,5R)-3-(BENZO[B]THIOPHEN-2-YL)METHOXY-1,4,5-TRIHYDROXY-2-(THIEN-2-YL)METHYLCYCLOHEX-2-EN-1-CARBOXYLATE | | Definition date: | 2022-02-09 | | Last modified: | 2024-09-27 | | Release date: | 2023-02-15 | | Identifier: | (2E)-3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{[(2R)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-2H-pyrrol-3-yl]prop-2-enoic acid |
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 | | NIY | | Name: | META-NITRO-TYROSINE | | Formula: | C9 H10 N2 O5 | | SMILES: | O=[N+]([O-])c1cc(ccc1O)CC(C(=O)O)N | | InChi: | InChI=1S/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)/t6-/m0/s1 | | Definition date: | 2001-10-24 | | Last modified: | 2024-09-27 | | Identifier: | 3-nitro-L-tyrosine |
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 | | Y2W | | Name: | [(1~{S},2~{R},3~{R},4~{S},6~{R})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexyl]methanesulfonic acid | | Formula: | C7 H15 N O6 S | | SMILES: | N[CH]1C[CH](O)[CH](O)[CH](O)[CH]1C[S](O)(=O)=O | | InChi: | InChI=1S/C7H15NO6S/c8-4-1-5(9)7(11)6(10)3(4)2-15(12,13)14/h3-7,9-11H,1-2,8H2,(H,12,13,14)/t3-,4+,5-,6+,7+/m0/s1 | | Definition date: | 2023-11-16 | | Last modified: | 2024-09-27 | | Release date: | 2024-05-08 | | Identifier: | [(1~{S},2~{R},3~{R},4~{S},6~{R})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexyl]methanesulfonic acid |
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 | | KAH | | Name: | 5-AMINO-4-HYDROXYHEXANOIC ACID | | Formula: | C6 H13 N O3 | | SMILES: | O=C(O)CCC(O)C(N)C | | InChi: | InChI=1S/C6H13NO3/c1-4(7)5(8)2-3-6(9)10/h4-5,8H,2-3,7H2,1H3,(H,9,10)/t4-,5-/m1/s1 | | Synonyms: | 4-KETO-5-AMINO-HEXANOIC ACID | | Definition date: | 2001-07-09 | | Last modified: | 2024-09-27 | | Identifier: | (4R,5R)-5-amino-4-hydroxyhexanoic acid |
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 | | XPC | | Name: | (3S,4R)-4-aminopyrrolidine-3-carboxylic acid | | Formula: | C5 H10 N2 O2 | | SMILES: | O=C(O)C1CNCC1N | | InChi: | InChI=1S/C5H10N2O2/c6-4-2-7-1-3(4)5(8)9/h3-4,7H,1-2,6H2,(H,8,9)/t3-,4-/m0/s1 | | Synonyms: | (3R,4S)-3-Aminopyrrolidine-4-carboxylic acid | | Definition date: | 2008-02-05 | | Last modified: | 2024-09-27 | | Identifier: | (3S,4R)-4-aminopyrrolidine-3-carboxylic acid |
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 | | Y2Y | | Name: | (3S,4R)-3-amino-4-hydroxyheptanedioic acid | | Formula: | C7 H13 N O5 | | SMILES: | NC(CC(O)=O)C(CCC(=O)O)O | | InChi: | InChI=1S/C7H13NO5/c8-4(3-7(12)13)5(9)1-2-6(10)11/h4-5,9H,1-3,8H2,(H,10,11)(H,12,13)/t4-,5+/m0/s1 | | Definition date: | 2020-06-02 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-02 | | Identifier: | (3S,4R)-3-amino-4-hydroxyheptanedioic acid |
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 | | NXT | | Name: | 4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid | | Formula: | C9 H10 O3 | | SMILES: | OC(=O)c1coc2CCCCc12 | | InChi: | InChI=1S/C9H10O3/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h5H,1-4H2,(H,10,11) | | Definition date: | 2020-01-07 | | Last modified: | 2024-09-27 | | Release date: | 2020-11-25 | | Identifier: | 4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid |
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