 | K5L | Name: | (2~{R})-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-/m1/s1 | Definition date: | 2017-01-25 | Last modified: | 2024-10-02 | Release date: | 2018-01-24 | Identifier: | (2~{R})-2-azanyl-3-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-propanoic acid |
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 | A1ADY | Name: | (2~{S})-2-azanyl-3-[2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]propan-1-ol | Formula: | C9 H10 N2 O4 | SMILES: | O=[N+]([O-])c1ccccc1CC(N)C(=O)O | InChi: | InChI=1S/C9H10N2O4/c10-7(9(12)13)5-6-3-1-2-4-8(6)11(14)15/h1-4,7H,5,10H2,(H,12,13)/t7-/m0/s1 | Definition date: | 2024-01-29 | Last modified: | 2024-10-02 | Release date: | 2024-03-13 | Identifier: | 2-nitro-L-phenylalanine |
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 | A1ADZ | Name: | (2S)-2-amino-3-(2-methoxyphenyl)propan-1-ol | Formula: | C10 H13 N O3 | SMILES: | COc1ccccc1CC(N)C(=O)O | InChi: | InChI=1S/C10H13NO3/c1-14-9-5-3-2-4-7(9)6-8(11)10(12)13/h2-5,8H,6,11H2,1H3,(H,12,13)/t8-/m0/s1 | Definition date: | 2024-01-29 | Last modified: | 2024-10-02 | Release date: | 2024-03-13 | Identifier: | 2-methoxy-L-phenylalanine |
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 | NIN | Name: | DINITROPHENYLENE | Formula: | C6 H4 N2 O4 | SMILES: | O=[N+]([O-])c1cccc([N+]([O-])=O)c1 | InChi: | InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H | Definition date: | 2001-01-26 | Last modified: | 2024-09-27 | Identifier: | 1,3-dinitrobenzene |
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 | MAZ | Name: | FORMIC ACID 3-AMINO-BENZYL ESTER | Formula: | C8 H9 N O3 | SMILES: | O=COCc1cc(N)ccc1 | InChi: | InChI=1S/C8H9NO3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5,9H2,(H,10,11) | Synonyms: | META-AMINO BENZYLOCARBONYL | Definition date: | 2001-09-21 | Last modified: | 2024-09-27 | Identifier: | 3-aminobenzyl formate |
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 | PL7 | Name: | (2E)-2-({(2S)-2-CARBOXY-2-[(PHENOXYACETYL)AMINO]ETHOXY}IMINO)PENTANEDIOIC ACID | Formula: | C16 H18 N2 O9 | SMILES: | O=C(O)CCC(=NOCC(C(=O)O)NC(=O)COc1ccccc1)/C(=O)O | InChi: | InChI=1S/C16H18N2O9/c19-13(9-26-10-4-2-1-3-5-10)17-12(16(24)25)8-27-18-11(15(22)23)6-7-14(20)21/h1-5,12H,6-9H2,(H,17,19)(H,20,21)(H,22,23)(H,24,25)/b18-11+/t12-/m0/s1 | Synonyms: | PHENYLACETYL LACTIVICIN | Definition date: | 2006-12-23 | Last modified: | 2024-09-27 | Identifier: | (2E)-2-({(2S)-2-carboxy-2-[(phenoxyacetyl)amino]ethoxy}imino)pentanedioic acid |
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 | OCR | Name: | (5E,8E,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid | Formula: | C20 H30 O3 | SMILES: | O=C(C=CC=C/C/C=C/C/C=C/CCCC(=O)O)CCCCC | InChi: | InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4+,10-8+,11-9-,17-14+ | Synonyms: | 15-oxo-eicosatetraenoic acid | Definition date: | 2008-03-17 | Last modified: | 2024-09-27 | Identifier: | (5E,8E,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid |
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 | U1D | Name: | N'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide | Formula: | C11 H14 N2 O2 S | SMILES: | N(NC(C)=O)C(c2cc1CCCCc1s2)=O | InChi: | InChI=1S/C11H14N2O2S/c1-7(14)12-13-11(15)10-6-8-4-2-3-5-9(8)16-10/h6H,2-5H2,1H3,(H,12,14)(H,13,15) | Definition date: | 2020-04-08 | Last modified: | 2024-09-27 | Release date: | 2020-04-15 | Identifier: | N'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide |
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 | NXI | Name: | ~{N}-(1~{H}-indazol-5-ylmethyl)propanamide | Formula: | C11 H13 N3 O | SMILES: | CCC(=O)NCc1ccc2[nH]ncc2c1 | InChi: | InChI=1S/C11H13N3O/c1-2-11(15)12-6-8-3-4-10-9(5-8)7-13-14-10/h3-5,7H,2,6H2,1H3,(H,12,15)(H,13,14) | Synonyms: | N-(1H-indazol-5-ylmethyl)prop-2-enamide (precursor) | Definition date: | 2022-08-24 | Last modified: | 2024-09-27 | Release date: | 2022-09-28 | Identifier: | ~{N}-(1~{H}-indazol-5-ylmethyl)propanamide |
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 | OCS | Name: | CYSTEINESULFONIC ACID | Formula: | C3 H7 N O5 S | SMILES: | O=S(=O)(O)CC(C(=O)O)N | InChi: | InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | 3-sulfo-L-alanine |
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 | XP1 | Name: | 4-(DIMETHYLAMINO)BENZOIC ACID | Formula: | C9 H11 N O2 | SMILES: | O=C(O)c1ccc(N(C)C)cc1 | InChi: | InChI=1S/C9H11NO2/c1-10(2)8-5-3-7(4-6-8)9(11)12/h3-6H,1-2H3,(H,11,12) | Definition date: | 2007-07-19 | Last modified: | 2024-09-27 | Identifier: | 4-(dimethylamino)benzoic acid |
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 | V7S | Name: | 1,3-bis[(methylsulfanyl)methyl]benzene | Formula: | C10 H14 S2 | SMILES: | CSCc1cccc(c1)CSC | InChi: | InChI=1S/C10H14S2/c1-11-7-9-4-3-5-10(6-9)8-12-2/h3-6H,7-8H2,1-2H3 | Definition date: | 2020-07-13 | Last modified: | 2024-09-27 | Release date: | 2020-11-18 | Identifier: | 1,3-bis[(methylsulfanyl)methyl]benzene |
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 | ZXM | Name: | 1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid | Formula: | C11 H13 B N4 O5 S | SMILES: | O=C(NC(B(O)O)Cn1nnc(C(=O)O)c1)Cc2sccc2 | InChi: | InChI=1S/C11H13BN4O5S/c17-10(4-7-2-1-3-22-7)13-9(12(20)21)6-16-5-8(11(18)19)14-15-16/h1-3,5,9,20-21H,4,6H2,(H,13,17)(H,18,19)/t9-/m0/s1 | Definition date: | 2014-07-15 | Last modified: | 2024-09-27 | Release date: | 2014-11-19 | Identifier: | 1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid |
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 | STA | Name: | STATINE | Formula: | C8 H17 N O3 | SMILES: | O=C(O)CC(O)C(N)CC(C)C | InChi: | InChI=1S/C8H17NO3/c1-5(2)3-6(9)7(10)4-8(11)12/h5-7,10H,3-4,9H2,1-2H3,(H,11,12)/t6-,7-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | (3S,4S)-4-amino-3-hydroxy-6-methylheptanoic acid |
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 | V7T | Name: | (2R)-6-azanyl-2-carbamimidamido-hexanoic acid | Formula: | C7 H16 N4 O2 | SMILES: | NCCCC[CH](NC(N)=N)C(O)=O | InChi: | InChI=1S/C7H16N4O2/c8-4-2-1-3-5(6(12)13)11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m1/s1 | Definition date: | 2021-04-23 | Last modified: | 2024-09-27 | Release date: | 2022-04-06 | Identifier: | (2~{R})-6-azanyl-2-carbamimidamido-hexanoic acid |
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 | 48V | Name: | {[(2R)-2,3-diamino-3-oxopropyl]sulfanyl}acetic acid | Formula: | C5 H10 N2 O3 S | SMILES: | O=C(N)C(N)CSCC(=O)O | InChi: | InChI=1S/C5H10N2O3S/c6-3(5(7)10)1-11-2-4(8)9/h3H,1-2,6H2,(H2,7,10)(H,8,9)/t3-/m0/s1 | Definition date: | 2015-02-13 | Last modified: | 2024-09-27 | Release date: | 2015-09-23 | Identifier: | {[(2R)-2,3-diamino-3-oxopropyl]sulfanyl}acetic acid |
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 | OCT | Name: | N-OCTANE | Formula: | C8 H18 | SMILES: | CCCCCCCC | InChi: | InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | octane |
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 | KA8 | Name: | (2~{S},4~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-fluoranyl-pyrrolidine-2-carboxamide | Formula: | C21 H23 F N4 O | SMILES: | NC[CH](Cc1ccc(cc1)c2ccc(cc2)C#N)NC(=O)[CH]3C[CH](F)CN3 | InChi: | InChI=1S/C21H23FN4O/c22-18-10-20(25-13-18)21(27)26-19(12-24)9-14-1-5-16(6-2-14)17-7-3-15(11-23)4-8-17/h1-8,18-20,25H,9-10,12-13,24H2,(H,26,27)/t18-,19-,20-/m0/s1 | Definition date: | 2019-05-08 | Last modified: | 2024-09-27 | Release date: | 2019-08-28 | Identifier: | (2~{S},4~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-fluoranyl-pyrrolidine-2-carboxamide |
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 | U1G | Name: | 1-[4-(furan-2-carbonyl)piperazin-1-yl]ethan-1-one | Formula: | C11 H14 N2 O3 | SMILES: | N1(CCN(CC1)C(C)=O)C(c2ccco2)=O | InChi: | InChI=1S/C11H14N2O3/c1-9(14)12-4-6-13(7-5-12)11(15)10-3-2-8-16-10/h2-3,8H,4-7H2,1H3 | Definition date: | 2020-04-08 | Last modified: | 2024-09-27 | Release date: | 2020-04-15 | Identifier: | 1-[4-(furan-2-carbonyl)piperazin-1-yl]ethan-1-one |
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 | NXL | Name: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide | Formula: | C7 H13 N3 O6 S | SMILES: | O=CN1C(C(N)=O)CCC(C1)NOS(=O)(O)=O | InChi: | InChI=1S/C7H13N3O6S/c8-7(12)6-2-1-5(3-10(6)4-11)9-16-17(13,14)15/h4-6,9H,1-3H2,(H2,8,12)(H,13,14,15)/t5-,6+/m1/s1 | Synonyms: | avibactam, bound form | Definition date: | 2012-01-25 | Last modified: | 2024-09-27 | Identifier: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide |
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 | ZXQ | Name: | {(3R,7S)-2-hydroxy-3-[2-(thiophen-2-yl)acetamido]-2,3,4,7-tetrahydro-1,2-oxaborepin-7-yl}acetic acid | Formula: | C13 H16 B N O5 S | SMILES: | O=C(NC1CC=CC(CC(=O)O)OB1O)Cc1cccs1 | InChi: | InChI=1S/C13H16BNO5S/c16-12(8-10-4-2-6-21-10)15-11-5-1-3-9(7-13(17)18)20-14(11)19/h1-4,6,9,11,19H,5,7-8H2,(H,15,16)(H,17,18)/t9-,11+/m1/s1 | Definition date: | 2022-01-13 | Last modified: | 2024-09-27 | Release date: | 2022-05-18 | Identifier: | {(3R,7S)-2-hydroxy-3-[2-(thiophen-2-yl)acetamido]-2,3,4,7-tetrahydro-1,2-oxaborepin-7-yl}acetic acid |
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 | STE | Name: | STEARIC ACID | Formula: | C18 H36 O2 | SMILES: | O=C(O)CCCCCCCCCCCCCCCCC | InChi: | InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20) | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | octadecanoic acid |
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 | LWI | Name: | 2-(aminomethyl)-L-phenylalanine | Formula: | C10 H14 N2 O2 | SMILES: | NC(Cc1ccccc1CN)C(O)=O | InChi: | InChI=1S/C10H14N2O2/c11-6-8-4-2-1-3-7(8)5-9(12)10(13)14/h1-4,9H,5-6,11-12H2,(H,13,14)/t9-/m0/s1 | Definition date: | 2020-06-09 | Last modified: | 2024-09-27 | Release date: | 2021-03-31 | Identifier: | 2-(aminomethyl)-L-phenylalanine |
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 | UF0 | Name: | O-[(R)-hydroxy{[(3R)-3-hydroxy-4-{[3-({2-[(hydroxyacetyl)amino]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]oxy}phosphoryl]-L-serine | Formula: | C16 H31 N4 O11 P | SMILES: | CC(C)(CO[P](O)(=O)OC[CH](N)C(O)=O)[CH](O)C(=O)NCCC(=O)NCCNC(=O)CO | InChi: | InChI=1S/C16H31N4O11P/c1-16(2,9-31-32(28,29)30-8-10(17)15(26)27)13(24)14(25)20-4-3-11(22)18-5-6-19-12(23)7-21/h10,13,21,24H,3-9,17H2,1-2H3,(H,18,22)(H,19,23)(H,20,25)(H,26,27)(H,28,29)/t10-,13-/m0/s1 | Definition date: | 2009-11-20 | Last modified: | 2024-09-27 | Identifier: | (2S)-2-azanyl-3-[hydroxy-[(3R)-3-hydroxy-4-[[3-[2-(2-hydroxyethanoylamino)ethylamino]-3-oxo-propyl]amino]-2,2-dimethyl-4-oxo-butoxy]phosphoryl]oxy-propanoic acid |
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 | 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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