 | | MY1 | | Name: | [N-(3-DIBENZYLCARBAMOYL-OXIRANECARBONYL)-HYDRAZINO]-ACETIC ACID | | Formula: | C20 H23 N3 O5 | | SMILES: | O=C(O)CN(N)C(=O)CC(O)C(=O)N(Cc1ccccc1)Cc2ccccc2 | | InChi: | InChI=1S/C20H23N3O5/c21-23(14-19(26)27)18(25)11-17(24)20(28)22(12-15-7-3-1-4-8-15)13-16-9-5-2-6-10-16/h1-10,17,24H,11-14,21H2,(H,26,27)/t17-/m0/s1 | | Definition date: | 2006-01-27 | | Last modified: | 2024-09-27 | | Identifier: | {1-[(3S)-4-(dibenzylamino)-3-hydroxy-4-oxobutanoyl]hydrazino}acetic acid |
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 | | R0E | | Name: | ProM-17 | | Formula: | C14 H22 N2 O3 | | SMILES: | CC(C)C[CH]1C=C[CH]2CCN[CH]2C(=O)N1CC(O)=O | | InChi: | InChI=1S/C14H22N2O3/c1-9(2)7-11-4-3-10-5-6-15-13(10)14(19)16(11)8-12(17)18/h3-4,9-11,13,15H,5-8H2,1-2H3,(H,17,18)/t10-,11-,13-/m0/s1 | | Synonyms: | 2-[(3~{a}~{R},6~{R},8~{a}~{S})-6-(2-methylpropyl)-8-oxidanylidene-1,2,3,3~{a},6,8~{a}-hexahydropyrrolo[2,3-c]azepin-7-yl]ethanoic acid | | Definition date: | 2020-08-25 | | Last modified: | 2024-09-27 | | Release date: | 2020-10-07 | | Identifier: | 2-[(3~{a}~{R},6~{R},8~{a}~{S})-6-(2-methylpropyl)-8-oxidanylidene-1,2,3,3~{a},6,8~{a}-hexahydropyrrolo[2,3-c]azepin-7-yl]ethanoic acid |
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 | | RE3 | | Name: | 3-[(3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine | | Formula: | C11 H12 N2 O4 | | SMILES: | O=C(O)C(N)CC2(O)c1ccccc1NC2=O | | InChi: | InChI=1S/C11H12N2O4/c12-7(9(14)15)5-11(17)6-3-1-2-4-8(6)13-10(11)16/h1-4,7,17H,5,12H2,(H,13,16)(H,14,15)/t7-,11-/m0/s1 | | Definition date: | 2011-02-03 | | Last modified: | 2024-09-27 | | Identifier: | 3-[(3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine |
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 | | RSH | | Name: | 3-DEOXY-D-LYXO-HEXONIC ACID | | Formula: | C6 H12 O6 | | SMILES: | O=C(O)C(O)CC(O)C(O)CO | | InChi: | InChI=1S/C6H12O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3-5,7-10H,1-2H2,(H,11,12)/t3-,4+,5-/m1/s1 | | Synonyms: | D-2-KETO-3-DEOXYGALACTONATE | | Definition date: | 2004-07-19 | | Last modified: | 2024-09-27 | | Identifier: | 3-deoxy-D-lyxo-hexonic acid |
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 | | TGH | | Name: | 6-{[(S)-carboxy(hydroxy)methyl]amino}-7-hydroxy-L-tryptophan | | Formula: | C13 H15 N3 O6 | | SMILES: | NC(C(=O)O)Cc1cnc2c1ccc(c2O)NC(C(=O)O)O | | InChi: | InChI=1S/C13H15N3O6/c14-7(12(19)20)3-5-4-15-9-6(5)1-2-8(10(9)17)16-11(18)13(21)22/h1-2,4,7,11,15-18H,3,14H2,(H,19,20)(H,21,22)/t7-,11-/m0/s1 | | Definition date: | 2020-01-29 | | Last modified: | 2024-09-27 | | Release date: | 2020-04-08 | | Identifier: | 6-{[(S)-carboxy(hydroxy)methyl]amino}-7-hydroxy-L-tryptophan |
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 | | UZV | | Name: | N-hydroxy-5-sulfanylpentanamide | | Formula: | C5 H11 N O2 S | | SMILES: | C(CCCCS)(NO)=O | | InChi: | InChI=1S/C5H11NO2S/c7-5(6-8)3-1-2-4-9/h8-9H,1-4H2,(H,6,7) | | Definition date: | 2020-06-09 | | Last modified: | 2024-09-27 | | Release date: | 2020-09-23 | | Identifier: | N-hydroxy-5-sulfanylpentanamide |
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 | | MY2 | | Name: | {1-[(3S)-4-(BENZYLOXY)-3-HYDROXY-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID | | Formula: | C13 H16 N2 O6 | | SMILES: | O=C(O)CN(N)C(=O)CC(O)C(=O)OCc1ccccc1 | | InChi: | InChI=1S/C13H16N2O6/c14-15(7-12(18)19)11(17)6-10(16)13(20)21-8-9-4-2-1-3-5-9/h1-5,10,16H,6-8,14H2,(H,18,19)/t10-/m0/s1 | | Definition date: | 2006-05-22 | | Last modified: | 2024-09-27 | | Identifier: | {1-[(3S)-4-(benzyloxy)-3-hydroxy-4-oxobutanoyl]hydrazino}acetic acid |
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 | | PEP | | Name: | PHOSPHOENOLPYRUVATE | | Formula: | C3 H5 O6 P | | SMILES: | O=C(O)C(OP(=O)(O)O)=C | | InChi: | InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8) | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 2-(phosphonooxy)prop-2-enoic acid |
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 | | TUN | | Name: | ETHYL HYDROGEN DIETHYLAMIDOPHOSPHATE | | Formula: | C6 H16 N O3 P | | SMILES: | O=P(O)(OCC)N(CC)CC | | InChi: | InChI=1S/C6H16NO3P/c1-4-7(5-2)11(8,9)10-6-3/h4-6H2,1-3H3,(H,8,9) | | Definition date: | 2009-05-11 | | Last modified: | 2024-09-27 | | Identifier: | ethyl hydrogen diethylamidophosphate |
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 | | LOR | | Name: | LORACABEF (Open form) | | Formula: | C16 H18 Cl N3 O4 | | SMILES: | O=C(O)C2=NC(C(NC(=O)C(c1ccccc1)N)C=O)CCC2Cl | | InChi: | InChI=1S/C16H18ClN3O4/c17-10-6-7-11(19-14(10)16(23)24)12(8-21)20-15(22)13(18)9-4-2-1-3-5-9/h1-5,8,10-13H,6-7,18H2,(H,20,22)(H,23,24)/t10-,11+,12+,13+/m0/s1 | | Synonyms: | (3S,6R)-6-[(1S)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-3-chloro-3,4,5,6-tetrahydropyridine-2-carboxylic
acid | | Definition date: | 2000-08-11 | | Last modified: | 2024-09-27 | | Identifier: | (3S,6R)-6-[(1S)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-3-chloro-3,4,5,6-tetrahydropyridine-2-carboxylic acid |
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 | | Q7J | | Name: | 1,4-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol | | Formula: | C12 H18 N4 O6 | | SMILES: | C=1(NC(=O)NC(C=1N=[C@H]C(C)=O)=O)NCC(O)C(CCO)O | | InChi: | InChI=1S/C12H18N4O6/c1-6(18)4-13-9-10(15-12(22)16-11(9)21)14-5-8(20)7(19)2-3-17/h4,7-8,17,19-20H,2-3,5H2,1H3,(H3,14,15,16,21,22)/b13-4+/t7-,8+/m1/s1 | | Definition date: | 2019-10-01 | | Last modified: | 2024-09-27 | | Release date: | 2020-02-19 | | Identifier: | 1,4-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol |
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 | | MY3 | | Name: | [N-(3-BENZYLCARBAMOYL-OXIRANECARBONYL)-HYDRAZINO] - ACETIC ACID | | Formula: | C13 H17 N3 O5 | | SMILES: | O=C(O)CN(N)C(=O)CC(O)C(=O)NCc1ccccc1 | | InChi: | InChI=1S/C13H17N3O5/c14-16(8-12(19)20)11(18)6-10(17)13(21)15-7-9-4-2-1-3-5-9/h1-5,10,17H,6-8,14H2,(H,15,21)(H,19,20)/t10-/m0/s1 | | Definition date: | 2006-05-22 | | Last modified: | 2024-09-27 | | Identifier: | {1-[(3S)-4-(benzylamino)-3-hydroxy-4-oxobutanoyl]hydrazinyl}acetic acid |
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 | | NCF | | Name: | (2R)-2-{(1R)-2-OXO-1-[(2-THIENYLACETYL)AMINO]ETHYL}-5,6-DIHYDRO-2H-1,3-THIAZINE-4-CARBOXYLIC ACID | | Formula: | C13 H14 N2 O5 S2 | | SMILES: | S1CCC(C(O)=O)=NC1C(C=O)NC(=O)Cc2cccs2 | | InChi: | InChI=1S/C13H14N2O5S2/c16-9(6-7-2-1-4-21-7)15-10(13(19)20)11-14-8(12(17)18)3-5-22-11/h1-2,4,10-11H,3,5-6H2,(H,15,16)(H,17,18)(H,19,20)/t10-,11+/m0/s1 | | Synonyms: | NITROCEFIN, open form without dinitrophenyl-ethenyl group | | Definition date: | 2004-10-01 | | Last modified: | 2024-09-27 | | Identifier: | (2R)-2-[(1R)-2-oxo-1-{[(thiophen-2-yl)acetyl]amino}ethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
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 | | LAF | | Name: | 5-FLUOROLEVULINIC ACID | | Formula: | C5 H7 F O3 | | SMILES: | FCC(=O)CCC(=O)O | | InChi: | InChI=1S/C5H7FO3/c6-3-4(7)1-2-5(8)9/h1-3H2,(H,8,9) | | Definition date: | 2002-05-21 | | Last modified: | 2024-09-27 | | Identifier: | 5-fluoro-4-oxopentanoic acid |
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 | | RE6 | | Name: | (5R)-5-methylheptanoic acid | | Formula: | C8 H16 O2 | | SMILES: | CCC(C)CCCC(=O)O | | InChi: | InChI=1S/C8H16O2/c1-3-7(2)5-4-6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/t7-/m1/s1 | | Definition date: | 2022-06-22 | | Last modified: | 2024-09-27 | | Release date: | 2022-09-14 | | Identifier: | (5R)-5-methylheptanoic acid |
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 | | OZ0 | | Name: | 3-({[(1S)-1-boronopropyl]sulfamoyl}methyl)benzoic acid | | Formula: | C11 H16 B N O6 S | | SMILES: | O=S(=O)(Cc1cccc(c1)C(=O)O)NC(CC)B(O)O | | InChi: | InChI=1S/C11H16BNO6S/c1-2-10(12(16)17)13-20(18,19)7-8-4-3-5-9(6-8)11(14)15/h3-6,10,13,16-17H,2,7H2,1H3,(H,14,15)/t10-/m1/s1 | | Definition date: | 2022-05-19 | | Last modified: | 2024-09-27 | | Release date: | 2023-04-05 | | Identifier: | 3-({[(1S)-1-boronopropyl]sulfamoyl}methyl)benzoic acid |
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 | | UZY | | Name: | N-hydroxy-6-sulfanylhexanamide | | Formula: | C6 H13 N O2 S | | SMILES: | C(CCCCCS)(NO)=O | | InChi: | InChI=1S/C6H13NO2S/c8-6(7-9)4-2-1-3-5-10/h9-10H,1-5H2,(H,7,8) | | Definition date: | 2020-06-09 | | Last modified: | 2024-09-27 | | Release date: | 2020-09-23 | | Identifier: | N-hydroxy-6-sulfanylhexanamide |
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 | | MY5 | | Name: | {1-[(3S)-4-{[(1S)-2-(BENZYLAMINO)-1-METHYL-2-OXOETHYL]AMINO}-3-HYDROXY-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID | | Formula: | C16 H22 N4 O6 | | SMILES: | O=C(O)CN(N)C(=O)CC(O)C(=O)NC(C(=O)NCc1ccccc1)C | | InChi: | InChI=1S/C16H22N4O6/c1-10(15(25)18-8-11-5-3-2-4-6-11)19-16(26)12(21)7-13(22)20(17)9-14(23)24/h2-6,10,12,21H,7-9,17H2,1H3,(H,18,25)(H,19,26)(H,23,24)/t10-,12-/m0/s1 | | Definition date: | 2006-05-22 | | Last modified: | 2024-09-27 | | Identifier: | {1-[(3S)-4-{[(2S)-1-(benzylamino)-1-oxopropan-2-yl]amino}-3-hydroxy-4-oxobutanoyl]hydrazinyl}acetic 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: | 2024-09-27 | | 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: | 2024-09-27 | | Identifier: | (2S,4S,5S)-5-amino-4-hydroxy-7-methyl-2-(propan-2-yl)octanoic acid |
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 | | R0K | | Name: | (2~{S})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]hexanedioic acid | | Formula: | C11 H18 N2 O7 | | SMILES: | N[CH](CCC(=O)N[CH](CCCC(O)=O)C(O)=O)C(O)=O | | InChi: | InChI=1S/C11H18N2O7/c12-6(10(17)18)4-5-8(14)13-7(11(19)20)2-1-3-9(15)16/h6-7H,1-5,12H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t6-,7-/m0/s1 | | Definition date: | 2023-03-29 | | Last modified: | 2024-09-27 | | Release date: | 2023-04-05 | | Identifier: | (2~{S})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]hexanedioic acid |
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 | | OZ3 | | Name: | 5-(aminomethyl)-3~{H}-isoindol-2-ium-1-amine | | Formula: | C9 H12 N3 | | SMILES: | NCc1ccc2C(=[NH+]Cc2c1)N | | InChi: | InChI=1S/C9H11N3/c10-4-6-1-2-8-7(3-6)5-12-9(8)11/h1-3H,4-5,10H2,(H2,11,12)/p+1 | | Definition date: | 2022-09-28 | | Last modified: | 2024-09-27 | | Release date: | 2023-10-04 | | Identifier: | 5-(aminomethyl)-3~{H}-isoindol-2-ium-1-amine |
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 | | PEX | | Name: | 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE | | Formula: | C25 H49 N O8 P | | SMILES: | O=C(OCC(OC(=O)CCCCCCCCC)COP([O-])(=O)OCCN)CCCCCCCCC | | InChi: | InChI=1S/C25H50NO8P/c1-3-5-7-9-11-13-15-17-24(27)31-21-23(22-33-35(29,30)32-20-19-26)34-25(28)18-16-14-12-10-8-6-4-2/h23H,3-22,26H2,1-2H3,(H,29,30)/p-1/t23-/m1/s1 | | Definition date: | 2004-08-02 | | Last modified: | 2024-09-27 | | Identifier: | 2-aminoethyl (2R)-2,3-bis(decanoyloxy)propyl phosphate |
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 | | Q7P | | Name: | 6-[(4-hydroxybutyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione | | Formula: | C11 H16 N4 O4 | | SMILES: | C1(NC(=O)C(/N=C/C(C)=O)=C(NCCCCO)N1)=O | | InChi: | InChI=1S/C11H16N4O4/c1-7(17)6-13-8-9(12-4-2-3-5-16)14-11(19)15-10(8)18/h6,16H,2-5H2,1H3,(H3,12,14,15,18,19)/b13-6+ | | Definition date: | 2019-10-01 | | Last modified: | 2024-09-27 | | Release date: | 2020-02-19 | | Identifier: | 6-[(4-hydroxybutyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione |
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 | | 1PA | | Name: | 4-(carboxymethyl)-L-phenylalanine | | Formula: | C11 H13 N O4 | | SMILES: | O=C(O)C(N)Cc1ccc(cc1)CC(=O)O | | InChi: | InChI=1S/C11H13NO4/c12-9(11(15)16)5-7-1-3-8(4-2-7)6-10(13)14/h1-4,9H,5-6,12H2,(H,13,14)(H,15,16)/t9-/m0/s1 | | Synonyms: | p-(carboxymethyl)phenylalanine | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 4-(carboxymethyl)-L-phenylalanine |
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