![XDM XDM](https://data.pdbj.org/pdbjplus/data/cc/svg/XDM.svg) | XDM | 表記: | ~{N}-[(3-chlorophenyl)methyl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide | 組成式: | C17 H19 Cl N2 O2 | SMILES: | CCc1c([nH]c(C)c1C(C)=O)C(=O)NCc2cccc(Cl)c2 | InChi: | InChI=1S/C17H19ClN2O2/c1-4-14-15(11(3)21)10(2)20-16(14)17(22)19-9-12-6-5-7-13(18)8-12/h5-8,20H,4,9H2,1-3H3,(H,19,22) | 別名: | XDM1 | 定義日: | 2016-08-13 | 最終更新日: | 2021-03-01 | 公開日: | 2017-08-16 | 識別子(ID): | ~{N}-[(3-chlorophenyl)methyl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide |
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![ZZ0 ZZ0](https://data.pdbj.org/pdbjplus/data/cc/svg/ZZ0.svg) | ZZ0 | 表記: | 2-(4-CHLORO-PHENYLAMINO)-NICOTINIC ACID | 組成式: | C12 H9 Cl N2 O2 | SMILES: | Clc1ccc(cc1)Nc2ncccc2C(=O)O | InChi: | InChI=1S/C12H9ClN2O2/c13-8-3-5-9(6-4-8)15-11-10(12(16)17)2-1-7-14-11/h1-7H,(H,14,15)(H,16,17) | 別名: | 2-[(4-CHLOROPHENYL)AMINO]PYRIDINE-3-CARBOXYLIC ACID | 定義日: | 2009-06-30 | 最終更新日: | 2021-03-01 | 識別子(ID): | 2-[(4-chlorophenyl)amino]pyridine-3-carboxylic acid |
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![S80 S80](https://data.pdbj.org/pdbjplus/data/cc/svg/S80.svg) | S80 | 表記: | N1-HYDROXY-2-(3-HYDROXY-PROPYL)-3-ISOBUTYL-N4-[1-(2-METHOXY-ETHYL)-2-OXO-AZEPAN-3-YL]-SUCCINAMIDE | 組成式: | C20 H37 N3 O6 | SMILES: | O=C(NO)C(CCCO)C(C(=O)NC1C(=O)N(CCOC)CCCC1)CC(C)C | InChi: | InChI=1S/C20H37N3O6/c1-14(2)13-16(15(7-6-11-24)19(26)22-28)18(25)21-17-8-4-5-9-23(20(17)27)10-12-29-3/h14-17,24,28H,4-13H2,1-3H3,(H,21,25)(H,22,26)/t15-,16+,17-/m0/s1 | 別名: | A DISUBSTITUTED SUCCINYL CAPROLACTAM HYDROXYMATE MMP3 INHIBITOR | 定義日: | 1999-07-08 | 最終更新日: | 2021-03-01 | 識別子(ID): | (2S,3R)-N~1~-hydroxy-2-(3-hydroxypropyl)-N~4~-[(3S)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-3-(2-methylpropyl)butanediamide |
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![HJ1 HJ1](https://data.pdbj.org/pdbjplus/data/cc/svg/HJ1.svg) | HJ1 | 表記: | N-[2-(3,4-dihydroxyphenyl)ethyl]-beta-alaninamide | 組成式: | C11 H16 N2 O3 | SMILES: | C(N)CC(NCCc1cc(c(cc1)O)O)=O | InChi: | InChI=1S/C11H16N2O3/c12-5-3-11(16)13-6-4-8-1-2-9(14)10(15)7-8/h1-2,7,14-15H,3-6,12H2,(H,13,16) | 別名: | beta-alanyl-dopamine | 定義日: | 2018-07-03 | 最終更新日: | 2021-03-01 | 公開日: | 2019-01-30 | 識別子(ID): | N-[2-(3,4-dihydroxyphenyl)ethyl]-beta-alaninamide |
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![S8F S8F](https://data.pdbj.org/pdbjplus/data/cc/svg/S8F.svg) | S8F | 表記: | 3-(3-fluorophenyl)-N-{[2-(1H-imidazol-1-yl)pyrimidin-4-yl]methyl}propan-1-amine | 組成式: | C17 H18 F N5 | SMILES: | Fc1cccc(c1)CCCNCc2nc(ncc2)n3ccnc3 | InChi: | InChI=1S/C17H18FN5/c18-15-5-1-3-14(11-15)4-2-7-19-12-16-6-8-21-17(22-16)23-10-9-20-13-23/h1,3,5-6,8-11,13,19H,2,4,7,12H2 | 別名: | N-(2-(1H-IMIDAZOL-1-YL)-4-PYRIMIDYLMETHYL)-3-(3-FLUOROPHENYL)PROPAN-1-AMINE | 定義日: | 2014-10-21 | 最終更新日: | 2021-03-01 | 公開日: | 2014-12-24 | 識別子(ID): | 3-(3-fluorophenyl)-N-{[2-(1H-imidazol-1-yl)pyrimidin-4-yl]methyl}propan-1-amine |
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![ZIO ZIO](https://data.pdbj.org/pdbjplus/data/cc/svg/ZIO.svg) | ZIO | 表記: | (3S,5R,6S,7R,8R,11R,12S,13R,14S,15S)-6-HYDROXY-5,7,8,11,13,15-HEXAMETHYL-4,10-DIOXO-14-{[3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSYL]OXY}-1,9-DIOXASPIRO[2.13]HEXADEC-12-YL 2,6-DIDEOXY-3-O-METHYL-ALPHA-L-ARABINO-HEXOPYRANOSIDE | 組成式: | C35 H61 N O12 | SMILES: | O=C4C(C)C(O)C(C)C(OC(=O)C(C(OC1OC(C(O)C(OC)C1)C)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)CC43OC3)C)C | InChi: | InChI=1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30-,31-,34-,35-/m0/s1 | 別名: | OLEANDOMYCIN | 定義日: | 2006-07-13 | 最終更新日: | 2021-03-01 | 識別子(ID): | (3S,5R,6S,7R,8R,11R,12S,13R,14S,15S)-6-hydroxy-5,7,8,11,13,15-hexamethyl-4,10-dioxo-14-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-1,9-dioxaspiro[2.13]hexadec-12-yl 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranoside |
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![ZIP ZIP](https://data.pdbj.org/pdbjplus/data/cc/svg/ZIP.svg) | ZIP | 表記: | N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE | 組成式: | C10 H13 N5 | SMILES: | n2c1c(ncn1)c(nc2)NCC=C(/C)C | InChi: | InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15) | 別名: | ISOPENTENYLADENINE | 定義日: | 2004-06-23 | 最終更新日: | 2021-03-01 | 識別子(ID): | N-(3-methylbut-2-en-1-yl)-9H-purin-6-amine |
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![XX6 XX6](https://data.pdbj.org/pdbjplus/data/cc/svg/XX6.svg) | XX6 | 表記: | 2-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-1,3-DIOL | 組成式: | C20 H23 N O4 | SMILES: | OCC(NCC(O)COc2cc3c(c1c2cccc1)cccc3)CO | InChi: | InChI=1S/C20H23NO4/c22-11-15(12-23)21-10-16(24)13-25-20-9-14-5-1-2-6-17(14)18-7-3-4-8-19(18)20/h1-9,15-16,21-24H,10-13H2/t16-/m1/s1 | 別名: | (R)-DIHYDROXY-PHENANTHRENOLOL | 定義日: | 2007-06-19 | 最終更新日: | 2021-03-01 | 識別子(ID): | 2-{[(2R)-2-hydroxy-3-(phenanthren-9-yloxy)propyl]amino}propane-1,3-diol |
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![S91 S91](https://data.pdbj.org/pdbjplus/data/cc/svg/S91.svg) | S91 | 表記: | [4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENYL]ACETIC ACID | 組成式: | C20 H19 N5 O3 | SMILES: | O=C(O)Cc1ccc(cc1)Nc2nc(c(cn2)C(=O)N)Nc3cc(ccc3)C | InChi: | InChI=1S/C20H19N5O3/c1-12-3-2-4-15(9-12)23-19-16(18(21)28)11-22-20(25-19)24-14-7-5-13(6-8-14)10-17(26)27/h2-9,11H,10H2,1H3,(H2,21,28)(H,26,27)(H2,22,23,24,25) | 別名: | (4-{[5-CARBAMOYL-4-(3-METHYLANILINO)PYRIMIDIN-2-YL]AMINO}PHENYL)ACETIC ACID | 定義日: | 2005-03-22 | 最終更新日: | 2021-03-01 | 識別子(ID): | [4-({5-carbamoyl-4-[(3-methylphenyl)amino]pyrimidin-2-yl}amino)phenyl]acetic acid |
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![WZC WZC](https://data.pdbj.org/pdbjplus/data/cc/svg/WZC.svg) | WZC | 表記: | (13ALPHA,14BETA,17ALPHA)-3-HYDROXY-2-METHOXYESTRA-1,3,5(10)-TRIEN-17-YL SULFAMATE | 組成式: | C19 H27 N O5 S | SMILES: | O=S(=O)(OC4CCC3C2C(c1cc(OC)c(O)cc1CC2)CCC34C)N | InChi: | InChI=1S/C19H27NO5S/c1-19-8-7-12-13(15(19)5-6-18(19)25-26(20,22)23)4-3-11-9-16(21)17(24-2)10-14(11)12/h9-10,12-13,15,18,21H,3-8H2,1-2H3,(H2,20,22,23)/t12-,13+,15-,18-,19-/m0/s1 | 別名: | 2-METHOXYESTRADIOL 17-O-SULFAMATE | 定義日: | 2009-11-23 | 最終更新日: | 2021-03-01 | 識別子(ID): | (13alpha,14beta,17alpha)-3-hydroxy-2-methoxyestra-1,3,5(10)-trien-17-yl sulfamate |
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![UPG UPG](https://data.pdbj.org/pdbjplus/data/cc/svg/UPG.svg) | UPG | 表記: | URIDINE-5'-DIPHOSPHATE-GLUCOSE | 組成式: | C15 H24 N2 O17 P2 | SMILES: | O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3O)CO)O)O | InChi: | InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1 | 別名: | URIDINE-5'-MONOPHOSPHATE GLUCOPYRANOSYL-MONOPHOSPHATE ESTER | 定義日: | 1999-07-08 | 最終更新日: | 2021-03-01 | 識別子(ID): | [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) |
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![V47 V47](https://data.pdbj.org/pdbjplus/data/cc/svg/V47.svg) | V47 | 表記: | 9-[7-(3-carboxyphenyl)-5,6-dideoxy-beta-D-ribo-heptodialdo-1,4-furanosyl]-9H-purin-6-amine | 組成式: | C19 H19 N5 O6 | SMILES: | OC2C(CCC(=O)c1cccc(C(=O)O)c1)OC(C2O)n4cnc3c4ncnc3N | InChi: | InChI=1S/C19H19N5O6/c20-16-13-17(22-7-21-16)24(8-23-13)18-15(27)14(26)12(30-18)5-4-11(25)9-2-1-3-10(6-9)19(28)29/h1-3,6-8,12,14-15,18,26-27H,4-5H2,(H,28,29)(H2,20,21,22)/t12-,14-,15-,18-/m1/s1 | 別名: | Aminofutalosine | 定義日: | 2020-06-23 | 最終更新日: | 2021-03-01 | 公開日: | 2020-07-15 | 識別子(ID): | 9-[7-(3-carboxyphenyl)-5,6-dideoxy-beta-D-ribo-heptodialdo-1,4-furanosyl]-9H-purin-6-amine |
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![XXT XXT](https://data.pdbj.org/pdbjplus/data/cc/svg/XXT.svg) | XXT | 表記: | [(3aS,5R,5aS,6S,8S,8aS,9S,9aR)-9-acetyloxy-8-hydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] acetate | 組成式: | C19 H26 O7 | SMILES: | C[CH]1C[CH]2OC(=O)C(=C)[CH]2[CH](OC(C)=O)[C]3(C)[CH](O)C[CH](OC(C)=O)[CH]13 | InChi: | InChI=1S/C19H26O7/c1-8-6-12-15(9(2)18(23)26-12)17(25-11(4)21)19(5)14(22)7-13(16(8)19)24-10(3)20/h8,12-17,22H,2,6-7H2,1,3-5H3/t8-,12+,13+,14+,15-,16-,17+,19-/m1/s1 | 別名: | Britannin | 定義日: | 2016-06-28 | 最終更新日: | 2021-03-01 | 公開日: | 2017-06-28 | 識別子(ID): | [(3~{a}~{S},5~{R},5~{a}~{S},6~{S},8~{S},8~{a}~{S},9~{S},9~{a}~{R})-9-acetyloxy-5,8~{a}-dimethyl-1-methylidene-8-oxidanyl-2-oxidanylidene-4,5,5~{a},6,7,8,9,9~{a}-octahydro-3~{a}~{H}-azuleno[6,5-b]furan-6-yl] ethanoate |
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![YFF YFF](https://data.pdbj.org/pdbjplus/data/cc/svg/YFF.svg) | YFF | 表記: | 2-{[(2S)-1-amino-5-{[(1Z)-2-fluoroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid | 組成式: | C15 H19 F N4 O4 | SMILES: | FCC(=[N@H])NCCCC(C(=O)N)NC(=O)c1ccccc1C(=O)O | InChi: | InChI=1S/C15H19FN4O4/c16-8-12(17)19-7-3-6-11(13(18)21)20-14(22)9-4-1-2-5-10(9)15(23)24/h1-2,4-5,11H,3,6-8H2,(H2,17,19)(H2,18,21)(H,20,22)(H,23,24)/t11-/m0/s1 | 別名: | o-F-amidine | 定義日: | 2011-08-16 | 最終更新日: | 2021-03-01 | 識別子(ID): | 2-{[(2S)-1-amino-5-{[(1Z)-2-fluoroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid |
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![W01 W01](https://data.pdbj.org/pdbjplus/data/cc/svg/W01.svg) | W01 | 表記: | 2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[2N-METHYL-2H-TETRAZOL-5-YL]-PHENOL | 組成式: | C17 H21 N5 O2 | SMILES: | n1n(nnc1c3cc(c(OCCCc2onc(c2)C)c(c3)C)C)C | InChi: | InChI=1S/C17H21N5O2/c1-11-8-14(17-18-21-22(4)19-17)9-12(2)16(11)23-7-5-6-15-10-13(3)20-24-15/h8-10H,5-7H2,1-4H3 | 別名: | WIN61209 | 定義日: | 1999-07-08 | 最終更新日: | 2021-03-01 | 識別子(ID): | 5-{3,5-dimethyl-4-[3-(3-methylisoxazol-5-yl)propoxy]phenyl}-2-methyl-2H-tetrazole |
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![W02 W02](https://data.pdbj.org/pdbjplus/data/cc/svg/W02.svg) | W02 | 表記: | 2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[4-METHYL-2H-TETRAZOL-2-YL]-PHENOL | 組成式: | C17 H21 N5 O2 | SMILES: | n1c(nnn1c3cc(c(OCCCc2onc(c2)C)c(c3)C)C)C | InChi: | InChI=1S/C17H21N5O2/c1-11-8-15(22-19-14(4)18-21-22)9-12(2)17(11)23-7-5-6-16-10-13(3)20-24-16/h8-10H,5-7H2,1-4H3 | 別名: | WIN68934 | 定義日: | 1999-07-20 | 最終更新日: | 2021-03-01 | 識別子(ID): | 2-{3,5-dimethyl-4-[3-(3-methylisoxazol-5-yl)propoxy]phenyl}-5-methyl-2H-tetrazole |
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![XYA XYA](https://data.pdbj.org/pdbjplus/data/cc/svg/XYA.svg) | XYA | 表記: | 2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL | 組成式: | C10 H13 N5 O4 | SMILES: | n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N | InChi: | InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6+,7-,10-/m1/s1 | 別名: | 9-BETA-D-XYLOFURANOSYL-ADENINE | 定義日: | 2003-06-23 | 最終更新日: | 2021-03-01 | 識別子(ID): | 9-beta-D-xylofuranosyl-9H-purin-6-amine |
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![XYB XYB](https://data.pdbj.org/pdbjplus/data/cc/svg/XYB.svg) | XYB | 表記: | 4-O-beta-D-xylopyranosyl-beta-D-xylopyranose | 組成式: | C10 H18 O9 | SMILES: | O(C1COC(O)C(O)C1O)C2OCC(O)C(O)C2O | InChi: | InChI=1S/C10H18O9/c11-3-1-18-10(8(15)5(3)12)19-4-2-17-9(16)7(14)6(4)13/h3-16H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10+/m1/s1 | 別名: | xylobiose | 定義日: | 2012-05-29 | 最終更新日: | 2021-03-01 | 公開日: | 2016-08-31 | 識別子(ID): | 4-O-beta-D-xylopyranosyl-beta-D-xylopyranose |
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![UQA UQA](https://data.pdbj.org/pdbjplus/data/cc/svg/UQA.svg) | UQA | 表記: | 5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione | 組成式: | C12 H12 N2 O3 | SMILES: | CCC1(C(NC(=O)NC1=O)=O)c2ccccc2 | InChi: | InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17) | 別名: | Phenobarbital | 定義日: | 2020-05-27 | 最終更新日: | 2021-03-01 | 公開日: | 2020-09-09 | 識別子(ID): | 5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione |
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![ZK9 ZK9](https://data.pdbj.org/pdbjplus/data/cc/svg/ZK9.svg) | ZK9 | 表記: | [3-AMINOMETHYLPHENYL-OXY-]-[BENZAMIDIN-3-YLOXY]-3,5-DIFLUORO-4-METHYL-PYRIDINE | 組成式: | C20 H20 F2 N4 O2 | SMILES: | Fc3c(Oc1cc(C(=[NH2+])N)ccc1)nc(Oc2cccc(c2)C[NH3+])c(F)c3C | InChi: | InChI=1S/C20H18F2N4O2/c1-11-16(21)19(27-14-6-2-4-12(8-14)10-23)26-20(17(11)22)28-15-7-3-5-13(9-15)18(24)25/h2-9H,10,23H2,1H3,(H3,24,25)/p+2 | 別名: | ZK-806299 | 定義日: | 1999-08-24 | 最終更新日: | 2021-03-01 | 識別子(ID): | {amino[3-({6-[3-(ammoniomethyl)phenoxy]-3,5-difluoro-4-methylpyridin-2-yl}oxy)phenyl]methylidene}ammonium |
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![SA2 SA2](https://data.pdbj.org/pdbjplus/data/cc/svg/SA2.svg) | SA2 | 表記: | (3R)-4-[(4-CARBOXYBUTANOYL)OXY]-N-[(1E)-3-OXOPROP-1-EN-1-YL]-3-SULFINO-D-VALINE | 組成式: | C13 H19 N O9 S | SMILES: | O=C(OCC(S(=O)O)(C(C(=O)O)NC=CC=O)C)CCCC(=O)O | InChi: | InChI=1S/C13H19NO9S/c1-13(24(21)22,11(12(19)20)14-6-3-7-15)8-23-10(18)5-2-4-9(16)17/h3,6-7,11,14H,2,4-5,8H2,1H3,(H,16,17)(H,19,20)(H,21,22)/b6-3+/t11-,13-/m0/s1 | 別名: | 4-AZA-5-CARBOXY-6-SULFENATE-6-METHYL-8-OXA-9-OXO-TRIS-2-TRANS-DECENEDIOIC ACID | 定義日: | 2006-06-09 | 最終更新日: | 2021-03-01 | 識別子(ID): | (3R)-4-[(4-carboxybutanoyl)oxy]-N-[(1E)-3-oxoprop-1-en-1-yl]-3-sulfino-D-valine |
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![HL0 HL0](https://data.pdbj.org/pdbjplus/data/cc/svg/HL0.svg) | HL0 | 表記: | N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide | 組成式: | C14 H25 N O3 | SMILES: | O=C1OCCC1NC(=O)CCCCCCCCC | InChi: | InChI=1S/C14H25NO3/c1-2-3-4-5-6-7-8-9-13(16)15-12-10-11-18-14(12)17/h12H,2-11H2,1H3,(H,15,16)/t12-/m0/s1 | 別名: | N-decanoyl-L-homoserine lactone | 定義日: | 2011-02-15 | 最終更新日: | 2021-03-01 | 識別子(ID): | N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide |
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![XYQ XYQ](https://data.pdbj.org/pdbjplus/data/cc/svg/XYQ.svg) | XYQ | 表記: | (2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]OXY}METHYL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL ACETATE | 組成式: | C17 H25 N5 O15 P2 | SMILES: | O=C(OC1OC(C(O)C1O)COP(=O)(O)OP(=O)(O)OCC4OC(n2c3ncnc(N)c3nc2)C(O)C4O)C | InChi: | InChI=1S/C17H25N5O15P2/c1-6(23)34-17-13(27)11(25)8(36-17)3-33-39(30,31)37-38(28,29)32-2-7-10(24)12(26)16(35-7)22-5-21-9-14(18)19-4-20-15(9)22/h4-5,7-8,10-13,16-17,24-27H,2-3H2,1H3,(H,28,29)(H,30,31)(H2,18,19,20)/t7-,8-,10-,11-,12-,13-,16-,17+/m1/s1 | 別名: | ACETYL-RIBOSYL-ADP | 定義日: | 2006-07-13 | 最終更新日: | 2021-03-01 | 識別子(ID): | (2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl acetate (non-preferred name) |
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![URD URD](https://data.pdbj.org/pdbjplus/data/cc/svg/URD.svg) | URD | 表記: | 1-((2R,3R,4S,5R)-TETRAHYDRO-3,4-DIHYDROXY-5-(HYDROXYMETHYL)FURAN-2-YL)PYRIDINE-2,4(1H,3H)-DIONE | 組成式: | C10 H13 N O6 | SMILES: | O=C1C=CN(C(=O)C1)C2OC(C(O)C2O)CO | InChi: | InChI=1S/C10H13NO6/c12-4-6-8(15)9(16)10(17-6)11-2-1-5(13)3-7(11)14/h1-2,6,8-10,12,15-16H,3-4H2/t6-,8-,9-,10-/m1/s1 | 別名: | 3-DEAZAURIDINE | 定義日: | 2005-04-08 | 最終更新日: | 2021-03-01 | 識別子(ID): | 1-beta-D-ribofuranosylpyridine-2,4(1H,3H)-dione |
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![SAY SAY](https://data.pdbj.org/pdbjplus/data/cc/svg/SAY.svg) | SAY | 表記: | [(2R,3S,5R)-3-hydroxy-5-(3-hydroxy-4-methanoyl-phenyl)oxolan-2-yl]methyl dihydrogen phosphate | 組成式: | C12 H15 O8 P | SMILES: | O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)c2ccc(C=O)c(O)c2 | InChi: | InChI=1S/C12H15O8P/c13-5-8-2-1-7(3-9(8)14)11-4-10(15)12(20-11)6-19-21(16,17)18/h1-3,5,10-12,14-15H,4,6H2,(H2,16,17,18)/t10-,11+,12+/m0/s1 | 別名: | 2'-DEOXY-1'-(3-HYDROXY-4-FORMYLPHENYL)RIBOSE-5'-MONOPHOSPHATE | 定義日: | 2010-11-15 | 最終更新日: | 2021-03-01 | 識別子(ID): | [(2R,3S,5R)-3-hydroxy-5-(3-hydroxy-4-methanoyl-phenyl)oxolan-2-yl]methyl dihydrogen phosphate |
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