 | | FZS | | Name: | (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | | Formula: | C14 H17 N5 O5 S2 | | SMILES: | OCC(NC(C(=N/OC)c1csc(N)n1)=O)C2N=C(C(O)=O)C(=C)/CS2 | | InChi: | InChI=1S/C14H17N5O5S2/c1-6-4-25-12(18-9(6)13(22)23)7(3-20)16-11(21)10(19-24-2)8-5-26-14(15)17-8/h5,7,12,20H,1,3-4H2,2H3,(H2,15,17)(H,16,21)(H,22,23)/b19-10-/t7-,12+/m0/s1 | | Synonyms: | Ceftriaxone open, bound form | | Definition date: | 2018-05-01 | | Last modified: | 2021-03-13 | | Release date: | 2018-06-27 | | Identifier: | (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
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 | | G12 | | Name: | 3,8-DIBROMO-7-HYDROXY-4-METHYL-2H-CHROMEN-2-ONE | | Formula: | C10 H6 Br2 O3 | | SMILES: | Brc2c(O)ccc1c2OC(=O)C(Br)=C1C | | InChi: | InChI=1S/C10H6Br2O3/c1-4-5-2-3-6(13)8(12)9(5)15-10(14)7(4)11/h2-3,13H,1H3 | | Synonyms: | 3,8-DIBROMO-7-HYDROXY-4-METHYLCHROMEN-2-ONE | | Definition date: | 2007-06-28 | | Last modified: | 2021-03-13 | | Identifier: | 3,8-dibromo-7-hydroxy-4-methyl-2H-chromen-2-one |
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 | | G2V | | Name: | 6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methylindoline | | Formula: | C15 H17 N3 | | SMILES: | C1CN(c2c1cc(cc2)c4cn3c(CCC3)n4)C | | InChi: | InChI=1S/C15H17N3/c1-17-8-6-12-9-11(4-5-14(12)17)13-10-18-7-2-3-15(18)16-13/h4-5,9-10H,2-3,6-8H2,1H3 | | Synonyms: | 5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methyl-2,3-dihydro-1H-indole | | Definition date: | 2018-05-02 | | Last modified: | 2021-03-13 | | Release date: | 2018-09-05 | | Identifier: | 5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methyl-2,3-dihydro-1H-indole |
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 | | G3X | | Name: | (4aS,6R,8aS)-3-methoxy-11-(3-piperidin-1-ylpropyl)-5,6,9,10,11,12-hexahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-6-ol | | Formula: | C24 H34 N2 O3 | | SMILES: | OC2C=CC41c3c(ccc(OC)c3OC1C2)CN(CC4)CCCN5CCCCC5 | | InChi: | InChI=1S/C24H34N2O3/c1-28-20-7-6-18-17-26(14-5-13-25-11-3-2-4-12-25)15-10-24-9-8-19(27)16-21(24)29-23(20)22(18)24/h6-9,19,21,27H,2-5,10-17H2,1H3/t19-,21-,24-/m0/s1 | | Synonyms: | (4aS,6R,8aS)-4a,5,9,10,11,12-Hexahydro-3-methoxy-11-[3-(1-piperidinyl)propyl]-6H-benzofuro[3a,3,2-ef][2]benzazepin-6-ol | | Definition date: | 2009-07-10 | | Last modified: | 2021-03-13 | | Identifier: | (4aS,6R,8aS)-3-methoxy-11-[3-(piperidin-1-yl)propyl]-5,6,9,10,11,12-hexahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-6-ol (non-preferred name) |
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 | | 4J6 | | Name: | (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid | | Formula: | C15 H26 N4 O6 S2 | | SMILES: | CC(O)C(C=O)C2NC(C(O)=O)=C(SC1CNC(CNS(N)(=O)=O)C1)C2C | | InChi: | InChI=1S/C15H26N4O6S2/c1-7-12(11(6-20)8(2)21)19-13(15(22)23)14(7)26-10-3-9(17-5-10)4-18-27(16,24)25/h6-12,17-19,21H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1 | | Synonyms: | Doripenem(open form, pyrroline tautomer form 1, SP2 connection to Thio) | | Definition date: | 2015-11-18 | | Last modified: | 2021-03-13 | | Release date: | 2015-11-25 | | Identifier: | (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid |
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 | | 4KX | | Name: | 1,5 Dienoyl-CoA | | Formula: | C28 H42 N7 O17 P3 S | | SMILES: | n1c(c4c(nc1)n(C2OC(C(C2O)OP(=O)(O)O)COP(O)(OP(O)(OCC(C(C(NCCC(NCCSC(C3=CCCC=C3)=O)=O)=O)O)(C)C)=O)=O)cn4)N | | InChi: | InChI=1S/C28H42N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h4,6-7,14-15,17,20-22,26,37-38H,3,5,8-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22+,26-/m1/s1 | | Synonyms: | Cyclohex-1,5-diene-1-carbonyl-CoA | | Definition date: | 2015-04-01 | | Last modified: | 2021-03-13 | | Release date: | 2015-06-24 | | Identifier: | S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} cyclohexa-1,5-diene-1-carbothioate (non-preferred name) |
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 | | G87 | | Name: | Metosulam | | Formula: | C14 H13 Cl2 N5 O4 S | | SMILES: | c2(nc1n(c(cc(OC)n1)OC)n2)S(Nc3c(c(C)ccc3Cl)Cl)(=O)=O | | InChi: | InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3 | | Synonyms: | N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide | | Definition date: | 2018-05-14 | | Last modified: | 2021-03-13 | | Release date: | 2018-09-26 | | Identifier: | N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide |
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 | | G8M | | Name: | (1S,2R)-2-[(S)-amino(carboxy)methyl]cyclobutanecarboxylic acid | | Formula: | C7 H11 N O4 | | SMILES: | O=C(O)C(N)C1CCC1C(=O)O | | InChi: | InChI=1S/C7H11NO4/c8-5(7(11)12)3-1-2-4(3)6(9)10/h3-5H,1-2,8H2,(H,9,10)(H,11,12)/t3-,4+,5+/m1/s1 | | Synonyms: | (2S,1'R,2'S)-2-(2'-carboxycyclobutyl)glycine | | Definition date: | 2012-07-30 | | Last modified: | 2021-03-13 | | Identifier: | (1S,2R)-2-[(S)-amino(carboxy)methyl]cyclobutanecarboxylic acid |
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 | | GA9 | | Name: | 3,3-BIS(3-BROMO-4-HYDROXYPHENYL)-7-CHLORO-1H,3H-BENZO[DE]ISOCHROMEN-1-ONE | | Formula: | C24 H13 Br2 Cl O4 | | SMILES: | Brc1c(O)ccc(c1)C4(OC(=O)c2c3c(c(Cl)cc2)cccc34)c5ccc(O)c(Br)c5 | | InChi: | InChI=1S/C24H13Br2ClO4/c25-17-10-12(4-8-20(17)28)24(13-5-9-21(29)18(26)11-13)16-3-1-2-14-19(27)7-6-15(22(14)16)23(30)31-24/h1-11,28-29H | | Synonyms: | 4-CHLORO-3',3"-DIBROMOPHENOL-1,8-NAPHTHALEIN | | Definition date: | 2005-08-03 | | Last modified: | 2021-03-13 | | Identifier: | 3,3-bis(3-bromo-4-hydroxyphenyl)-7-chloro-1H,3H-benzo[de]isochromen-1-one |
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 | | 5IP | | Name: | (1R,2R,3R,4R,5S,6S)-6-HYDROXYCYCLOHEXANE-1,2,3,4,5-PENTAYL PENTAKIS[DIHYDROGEN (PHOSPHATE)] | | Formula: | C6 H17 O21 P5 | | SMILES: | O=P(OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C1OP(=O)(O)O)(O)O | | InChi: | InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1-,2-,3+,4-,5-,6+/m1/s1 | | Synonyms: | D-MYO-INS(1,2,3,5,6)P5 | | Definition date: | 2006-08-28 | | Last modified: | 2021-03-13 | | Identifier: | (1R,2R,3R,4R,5S,6S)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)] |
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 | | KX7 | | Name: | Icilin | | Formula: | C16 H13 N3 O4 | | SMILES: | C1C=C(NC(N1c2ccccc2O)=O)c3cc(ccc3)[N+]([O-])=O | | InChi: | InChI=1S/C16H13N3O4/c20-15-7-2-1-6-14(15)18-9-8-13(17-16(18)21)11-4-3-5-12(10-11)19(22)23/h1-8,10,20H,9H2,(H,17,21) | | Synonyms: | 3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-3,4-dihydropyrimidin-2(1H)-one | | Definition date: | 2019-01-23 | | Last modified: | 2021-03-13 | | Release date: | 2019-02-20 | | Identifier: | 3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-3,4-dihydropyrimidin-2(1H)-one |
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 | | L07 | | Name: | 2-propyl[1,3]thiazolo[4,5-c]quinolin-4-amine | | Formula: | C13 H13 N3 S | | SMILES: | n2c1ccccc1c3sc(nc3c2N)CCC | | InChi: | InChI=1S/C13H13N3S/c1-2-5-10-16-11-12(17-10)8-6-3-4-7-9(8)15-13(11)14/h3-4,6-7H,2,5H2,1H3,(H2,14,15) | | Synonyms: | CL075 | | Definition date: | 2013-01-22 | | Last modified: | 2021-03-13 | | Release date: | 2013-04-03 | | Identifier: | 2-propyl[1,3]thiazolo[4,5-c]quinolin-4-amine |
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 | | 5P3 | | Name: | 5-chloro-4-hydroxybiphenyl-3-carboxylic acid | | Formula: | C13 H9 Cl O3 | | SMILES: | Clc1cc(cc(C(=O)O)c1O)c2ccccc2 | | InChi: | InChI=1S/C13H9ClO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h1-7,15H,(H,16,17) | | Synonyms: | 5-Phenyl,3-chlorosalicylic acid | | Definition date: | 2010-07-12 | | Last modified: | 2021-03-13 | | Identifier: | 5-chloro-4-hydroxybiphenyl-3-carboxylic acid |
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 | | L2D | | Name: | {2,2'-[(1R,2R)-cyclohexane-1,2-diylbis{[(pyridin-2-yl-kappaN)methyl]imino-kappaN}]diacetato-kappaO(2-)}iron | | Formula: | C22 H26 Fe N4 O4 | | SMILES: | O=C6O[Fe]2587OC(=O)CN8(Cc1n2cccc1)C3CCCCC3N7(Cc4ccccn45)C6 | | InChi: | InChI=1S/C22H28N4O4.Fe/c27-21(28)15-25(13-17-7-3-5-11-23-17)19-9-1-2-10-20(19)26(16-22(29)30)14-18-8-4-6-12-24-18 | | Synonyms: | Fe(1R,2R)-N,N'-Bis(2-pyridylmethyl)-N,N'-dicarboxymethyl-1,2-cyclohexanediamine | | Definition date: | 2012-02-16 | | Last modified: | 2021-03-13 | | Identifier: | {2,2'-[(1R,2R)-cyclohexane-1,2-diylbis{[(pyridin-2-yl-kappaN)methyl]imino-kappaN}]diacetato-kappaO(2-)}iron (non-preferred name) |
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 | | L4D | | Name: | {(S)-N-(2-{methyl[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-N-[(pyridin-2-yl-kappaN)methyl]glycinato-kappa~2~N,O}iron(2+) | | Formula: | C17 H21 Fe N4 O2 | | SMILES: | O=C5O[Fe+2]346n1ccccc1CN6(CCN4(Cc2ccccn23)C)C5 | | InChi: | InChI=1S/C17H22N4O2.Fe/c1-20(12-15-6-2-4-8-18-15)10-11-21(14-17(22)23)13-16-7-3-5-9-19-16 | | Synonyms: | {N,N'-Bis(2-pyridylmethyl)-N-carboxymethyl-N'-methyl}iron(2+) | | Definition date: | 2012-12-13 | | Last modified: | 2021-03-13 | | Release date: | 2013-04-17 | | Identifier: | {(S)-N-(2-{methyl[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-N-[(pyridin-2-yl-kappaN)methyl]glycinato-kappa~2~N,O}iron(2+) |
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 | | L75 | | Name: | N-[2(R)-HYDROXY-1(S)-INDANYL]-2(R)-PHENYLMETHYL-4(S)-HYDROXY-5-[4-[2-BENZOFURANYLMETHYL]-2(S)-[TERT-BUTYLAMINOCARBONYL]-PIPERAZINYL]-PENTANEAMIDE | | Formula: | C39 H48 N4 O5 | | SMILES: | O=C(NC2c1ccccc1CC2O)C(Cc3ccccc3)CC(O)CN4C(C(=O)NC(C)(C)C)CN(CC4)Cc6oc5ccccc5c6 | | InChi: | InChI=1S/C39H48N4O5/c1-39(2,3)41-38(47)33-25-42(24-31-21-28-14-8-10-16-35(28)48-31)17-18-43(33)23-30(44)20-29(19-26-11-5-4-6-12-26)37(46)40-36-32-15-9-7-13-27(32)22-34(36)45/h4-16,21,29-30,33-34,36,44-45H,17-20,22-25H2,1-3H3,(H,40,46)(H,41,47)/t29-,30+,33+,34-,36+/m1/s1 | | Synonyms: | L-756,423 | | Definition date: | 2000-01-04 | | Last modified: | 2021-03-13 | | Identifier: | (2S)-4-(1-benzofuran-2-ylmethyl)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentyl]-N-tert-butylpiperazine-2-carboxamide (non-preferred name) |
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 | | HXG | | Name: | 1,2-dihexanoyl-sn-glycero-3-phosphocholine | | Formula: | C20 H41 N O8 P | | SMILES: | O=C(OCC(OC(=O)CCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCC | | InChi: | InChI=1S/C20H40NO8P/c1-6-8-10-12-19(22)26-16-18(29-20(23)13-11-9-7-2)17-28-30(24,25)27-15-14-21(3,4)5/h18H,6-17H2,1-5H3/p+1/t18-/m1/s1 | | Synonyms: | (4R,7R)-7-(hexanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphapentadecan-1-aminium 4-oxide | | Definition date: | 2014-07-09 | | Last modified: | 2021-03-13 | | Release date: | 2015-03-04 | | Identifier: | (4R,7R)-7-(hexanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphapentadecan-1-aminium 4-oxide |
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 | | HYQ | | Name: | REL-(3AR,4S,7R,7AS)-3A,4,7,7A-TETRAHYDRO-2-(4-NITRO-1-NAPHTHALENYL)-4,7-ETHANO-1H-ISOINDOLE-1,3(2H)-DIONE | | Formula: | C20 H18 N2 O4 | | SMILES: | [O-][N+](=O)c2c1c(cccc1)c(cc2)N4C(=O)C5C3CCC(CC3)C5C4=O | | InChi: | InChI=1S/C20H18N2O4/c23-19-17-11-5-6-12(8-7-11)18(17)20(24)21(19)15-9-10-16(22(25)26)14-4-2-1-3-13(14)15/h1-4,9-12,17-18H,5-8H2/t11-,12+,17-,18+ | | Synonyms: | (3AALPHA,4ALPHA,7ALPHA,7AALPHA)- 3A,4,7,7A-TETRAHYDRO-2-(4-NITRO-1-NAPHTHALENYL)-4,7-ETHANO-1H-ISOINDOLE-1,3(2H)-DIONE | | Definition date: | 2004-10-28 | | Last modified: | 2021-03-13 | | Identifier: | (3aR,4R,7S,7aS)-2-(4-nitronaphthalen-1-yl)hexahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione |
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 | | HZM | | Name: | 2-{(S)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid | | Formula: | C28 H36 N4 O4 S | | SMILES: | C(=O)(O)c2c1sc(cc1ncc2)C(c3cc(ccc3)NC(CCCN(C)C)=O)OCCN4CCCCC4 | | InChi: | InChI=1S/C28H36N4O4S/c1-31(2)13-7-10-25(33)30-21-9-6-8-20(18-21)26(36-17-16-32-14-4-3-5-15-32)24-19-23-27(37-24)22(28(34)35)11-12-29-23/h6,8-9,11-12,18-19,26H,3-5,7,10,13-17H2,1-2H3,(H,30,33)(H,34,35)/t26-/m0/s1 | | Synonyms: | 2-{(S)-(3-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, bound form | | Definition date: | 2018-08-01 | | Last modified: | 2021-03-13 | | Release date: | 2018-11-21 | | Identifier: | 2-{(S)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid |
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 | | HZV | | Name: | 2-{(R)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid | | Formula: | C28 H36 N4 O4 S | | SMILES: | C(=O)(O)c2c1sc(cc1ncc2)C(c3cc(ccc3)NC(CCCN(C)C)=O)OCCN4CCCCC4 | | InChi: | InChI=1S/C28H36N4O4S/c1-31(2)13-7-10-25(33)30-21-9-6-8-20(18-21)26(36-17-16-32-14-4-3-5-15-32)24-19-23-27(37-24)22(28(34)35)11-12-29-23/h6,8-9,11-12,18-19,26H,3-5,7,10,13-17H2,1-2H3,(H,30,33)(H,34,35)/t26-/m1/s1 | | Synonyms: | 2-{(R)-(3-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, bound form | | Definition date: | 2018-08-01 | | Last modified: | 2021-03-13 | | Release date: | 2018-11-21 | | Identifier: | 2-{(R)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid |
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 | | I1E | | Name: | 1-phenylpropan-1-one | | Formula: | C9 H10 O | | SMILES: | O=C(c1ccccc1)CC | | InChi: | InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3 | | Synonyms: | 1-phenyl-2-propen-1-one, bound form | | Definition date: | 2011-07-26 | | Last modified: | 2021-03-13 | | Identifier: | 1-phenylpropan-1-one |
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 | | I2P | | Name: | D-MYO-INOSITOL-2,4,5-TRIPHOSPHATE | | Formula: | C6 H15 O15 P3 | | SMILES: | O=P(OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1OP(=O)(O)O)(O)O | | InChi: | InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2-,3-,4-,5+,6+/m0/s1 | | Synonyms: | D-MYO-INOSITOL-2,4,5-TRISPHOSPHATE | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-13 | | Identifier: | (1R,2R,3S,4S,5S,6S)-3,5,6-trihydroxycyclohexane-1,2,4-triyl tris[dihydrogen (phosphate)] |
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 | | IS1 | | Name: | 3-[(1E)-3-oxo-3-({4-[1-(phenylcarbonyl)piperidin-4-yl]butyl}amino)prop-1-en-1-yl]-1-beta-D-ribofuranosylpyridinium | | Formula: | C29 H38 N3 O6 | | SMILES: | O=C(c1ccccc1)N2CCC(CC2)CCCCNC(=O)C=Cc3ccc[n+](c3)C4OC(C(O)C4O)CO | | InChi: | InChI=1S/C29H37N3O6/c33-20-24-26(35)27(36)29(38-24)32-16-6-8-22(19-32)11-12-25(34)30-15-5-4-7-21-13-17-31(18-14-21)28(37)23-9-2-1-3-10-23/h1-3,6,8-12,16,19,21,24,26-27,29,33,35-36H,4-5,7,13-15,17-18,20H2/p+1/b12-11+/t24-,26-,27-,29-/m1/s1 | | Synonyms: | 3-((E)-3-(4-(1-benzoylpiperidin-4-yl)butylamino)-3-oxoprop-1-enyl)-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyridinium | | Definition date: | 2009-02-22 | | Last modified: | 2021-03-13 | | Identifier: | 3-[(1E)-3-oxo-3-({4-[1-(phenylcarbonyl)piperidin-4-yl]butyl}amino)prop-1-en-1-yl]-1-beta-D-ribofuranosylpyridinium |
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 | | ITA | | Name: | {4-[(CARBOXYMETHOXY)CARBONYL]-3,3-DIOXIDO-1-OXONAPHTHO[1,2-D]ISOTHIAZOL-2(1H)-YL}ACETIC ACID | | Formula: | C16 H11 N O9 S | | SMILES: | O=C(O)COC(=O)c2cc1ccccc1c3c2S(=O)(=O)N(C3=O)CC(=O)O | | InChi: | InChI=1S/C16H11NO9S/c18-11(19)6-17-15(22)13-9-4-2-1-3-8(9)5-10(14(13)27(17,24)25)16(23)26-7-12(20)21/h1-5H,6-7H2,(H,18,19)(H,20,21) | | Synonyms: | 2-CARBOXYMETHYL-1,3,3-TRIOXO-1,2-DIHYDRONAPHTHO[ 1,2-D]ISOTHIAZOLE-4-CARBOXYLIC ACID CARBOXYMETHYL ESTER | | Definition date: | 2006-11-15 | | Last modified: | 2021-03-13 | | Identifier: | {4-[(carboxymethoxy)carbonyl]-3,3-dioxido-1-oxonaphtho[1,2-d]isothiazol-2(1H)-yl}acetic acid |
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 | | ITY | | Name: | icosa-5,8,11,14-tetraynoic acid | | Formula: | C20 H24 O2 | | SMILES: | CCCCCC#CCC#CCC#CCC#CCCCC(O)=O | | InChi: | InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22) | | Synonyms: | 5,8,11,14-eicosatetraynoic acid | | Definition date: | 2018-07-10 | | Last modified: | 2021-03-13 | | Release date: | 2020-11-11 | | Identifier: | icosa-5,8,11,14-tetraynoic acid |
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