![UKC UKC](https://data.pdbj.org/pdbjplus/data/cc/svg/UKC.svg) | UKC | 表記: | 8-ETHYL-6-METHOXY-3-METHYL-8H-1,3A,7,8,9-PENTAAZA-DIBENZO[E,H]AZULENE | 組成式: | C17 H17 N5 O | SMILES: | n3c(OC)ccc4n1c(ncc1C)c2cccnc2N(c34)CC | InChi: | InChI=1S/C17H17N5O/c1-4-21-15-12(6-5-9-18-15)16-19-10-11(2)22(16)13-7-8-14(23-3)20-17(13)21/h5-10H,4H2,1-3H3 | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | 9-ethyl-7-methoxy-3-methyl-9H-imidazo[1,2-d]dipyrido[2,3-b:3',2'-f][1,4]diazepine |
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![WTI WTI](https://data.pdbj.org/pdbjplus/data/cc/svg/WTI.svg) | WTI | 表記: | 4-[2-AMINO-5-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-YL)PYRIDIN-3-YL]BENZAMIDE | 組成式: | C18 H15 N3 O3 S | SMILES: | O=C(N)c1ccc(cc1)c4cc(c2scc3OCCOc23)cnc4N | InChi: | InChI=1S/C18H15N3O3S/c19-17-13(10-1-3-11(4-2-10)18(20)22)7-12(8-21-17)16-15-14(9-25-16)23-5-6-24-15/h1-4,7-9H,5-6H2,(H2,19,21)(H2,20,22) | 定義日: | 2009-09-16 | 最終更新日: | 2011-06-04 | 識別子(ID): | 4-[2-amino-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridin-3-yl]benzamide |
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![WTJ WTJ](https://data.pdbj.org/pdbjplus/data/cc/svg/WTJ.svg) | WTJ | 表記: | 2-AMINO-5-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-YL)-N-[2-(DIMETHYLAMINO)ETHYL]PYRIDINE-3-CARBOXAMIDE | 組成式: | C16 H20 N4 O3 S | SMILES: | O=C(NCCN(C)C)c3cc(c1scc2OCCOc12)cnc3N | InChi: | InChI=1S/C16H20N4O3S/c1-20(2)4-3-18-16(21)11-7-10(8-19-15(11)17)14-13-12(9-24-14)22-5-6-23-13/h7-9H,3-6H2,1-2H3,(H2,17,19)(H,18,21) | 定義日: | 2009-09-16 | 最終更新日: | 2011-06-04 | 識別子(ID): | 2-amino-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide |
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![HFM HFM](https://data.pdbj.org/pdbjplus/data/cc/svg/HFM.svg) | HFM | 表記: | 2-FORMYL-PROTOPORPHRYN IX | 組成式: | C33 H32 Fe N4 O5 | SMILES: | O=C(O)CCC1=C(C2=CC4=C(C(C3=CC5=C(C)C(C=C)C6=Cc8c(c(c7C=C1N2[Fe](N34)(N56)n78)CCC(=O)O)C)=CO)C)C | InChi: | InChI=1S/C33H32N4O5.Fe/c1-6-20-16(2)26-13-31-23(15-38)19(5)25(37-31)11-24-17(3)21(7-9-32(39)40)29(35-24)14-30-22(8-10-33(41)42)18(4)27(36-30)12-28(20)34-26 | 定義日: | 2003-09-23 | 最終更新日: | 2011-06-04 | 識別子(ID): | {3,3'-[(7R,12Z)-7-ethenyl-12-(hydroxymethylidene)-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron |
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![S55 S55](https://data.pdbj.org/pdbjplus/data/cc/svg/S55.svg) | S55 | 表記: | METHYL (2S,3R,4S)-3-ETHYL-2-(BETA-D-GLUCOPYRANOSYLOXY)-4-[(1S)-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLIN-1-YLMETHYL]-3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLATE | 組成式: | C27 H36 N2 O9 | SMILES: | O=C(OC)C2=COC(OC1OC(C(O)C(O)C1O)CO)C(CC)C2CC5c4nc3ccccc3c4CCN5 | InChi: | InChI=1S/C27H36N2O9/c1-3-13-16(10-19-21-15(8-9-28-19)14-6-4-5-7-18(14)29-21)17(25(34)35-2)12-36-26(13)38-27-24(33)23(32)22(31)20(11-30)37-27/h4-7,12-13,16,19-20,22-24,26-33H,3,8-11H2,1-2H3/t13-,16+,19+,20-,22-,23+,24-,26+,27+/m1/s1 | 定義日: | 2007-01-26 | 最終更新日: | 2011-06-04 | 識別子(ID): | methyl (2S,3R,4S)-3-ethyl-2-(beta-D-glucopyranosyloxy)-4-[(1S)-2,3,4,9-tetrahydro-1H-beta-carbolin-1-ylmethyl]-3,4-dihydro-2H-pyran-5-carboxylate |
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![VGC VGC](https://data.pdbj.org/pdbjplus/data/cc/svg/VGC.svg) | VGC | 表記: | 6-CYCLOHEXYL-4-METHYL-5-PHENYL-4H-THIENO[3,2-B]PYRROLE-2-CARBOXYLIC ACID | 組成式: | C20 H21 N O2 S | SMILES: | O=C(O)c1sc2c(c(n(c2c1)C)c3ccccc3)C4CCCCC4 | InChi: | InChI=1S/C20H21NO2S/c1-21-15-12-16(20(22)23)24-19(15)17(13-8-4-2-5-9-13)18(21)14-10-6-3-7-11-14/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,22,23) | 定義日: | 2009-03-17 | 最終更新日: | 2011-06-04 | 識別子(ID): | 6-cyclohexyl-4-methyl-5-phenyl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid |
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![ULP ULP](https://data.pdbj.org/pdbjplus/data/cc/svg/ULP.svg) | ULP | 表記: | (2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name) | 組成式: | C25 H34 N5 O22 P3 | SMILES: | O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC4OC(C(=O)O)C(O)C(/N=C/c3c(cnc(c3O)C)COP(=O)(O)O)C4NC(=O)C)O)O | InChi: | InChI=1S/C25H34N5O22P3/c1-9-17(33)12(11(5-26-9)7-47-53(40,41)42)6-27-15-16(28-10(2)31)24(50-21(19(15)35)23(37)38)51-55(45,46)52-54(43,44)48-8-13-18(34)20(36)22(49-13)30-4-3-14(32)29-25(30)39/h3-6,13,15-16,18-22,24,33-36H,7-8H2,1-2H3,(H,28,31)(H,37,38)(H,43,44)(H,45,46)(H,29,32,39)(H2,40,41,42)/b27-6+/t13-,15-,16-,18-,19+,20-,21+,22-,24-/m1/s1 | 定義日: | 2010-07-16 | 最終更新日: | 2011-06-04 | 識別子(ID): | (2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name) |
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![YAK YAK](https://data.pdbj.org/pdbjplus/data/cc/svg/YAK.svg) | YAK | 表記: | N-{3-[(4aR,7aS)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide | 組成式: | C23 H23 F N4 O6 S2 | SMILES: | Fc1ccc(cc1)CN4C(=O)C(C3=Nc2c(cc(cc2)NS(=O)(=O)C)S(=O)(=O)N3)=C(O)C5CCCC45 | InChi: | InChI=1S/C23H23FN4O6S2/c1-35(31,32)26-15-9-10-17-19(11-15)36(33,34)27-22(25-17)20-21(29)16-3-2-4-18(16)28(23(20)30)12-13-5-7-14(24)8-6-13/h5-11,16,18,26,29H,2-4,12H2,1H3,(H,25,27)/t16-,18+/m1/s1 | 定義日: | 2009-04-17 | 最終更新日: | 2011-06-04 | 識別子(ID): | N-{3-[(4aR,7aS)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide |
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![UMX UMX](https://data.pdbj.org/pdbjplus/data/cc/svg/UMX.svg) | UMX | 表記: | [(1R,3R,4R,5S,7S)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-7-hydroxy-5-methyl-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate | 組成式: | C12 H17 N2 O8 P | SMILES: | O=P(O)(O)OCC23OC(N1C(=O)NC(=O)C=C1)C(C(C2)C)C3O | InChi: | InChI=1S/C12H17N2O8P/c1-6-4-12(5-21-23(18,19)20)9(16)8(6)10(22-12)14-3-2-7(15)13-11(14)17/h2-3,6,8-10,16H,4-5H2,1H3,(H,13,15,17)(H2,18,19,20)/t6-,8+,9-,10+,12+/m0/s1 | 定義日: | 2010-10-11 | 最終更新日: | 2011-06-04 | 識別子(ID): | [(1R,3R,4R,5S,7S)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-7-hydroxy-5-methyl-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate |
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![XUA XUA](https://data.pdbj.org/pdbjplus/data/cc/svg/XUA.svg) | XUA | 表記: | 2'-Se-methyl-2'-selenoadenosine 5'-(dihydrogen phosphate) | 組成式: | C11 H16 N5 O6 P Se | SMILES: | O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C([Se]C)C3O | InChi: | InChI=1S/C11H16N5O6PSe/c1-24-8-7(17)5(2-21-23(18,19)20)22-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17H,2H2,1H3,(H2,12,13,14)(H2,18,19,20)/t5-,7-,8-,11-/m1/s1 | 定義日: | 2009-07-27 | 最終更新日: | 2011-06-04 | 識別子(ID): | 2'-Se-methyl-2'-selenoadenosine 5'-(dihydrogen phosphate) |
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![VX2 VX2](https://data.pdbj.org/pdbjplus/data/cc/svg/VX2.svg) | VX2 | 表記: | N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine | 組成式: | C18 H18 F3 N5 | SMILES: | FC(F)(F)c4cccc(c2nnc1ccc(nn12)NC3CCCCC3)c4 | InChi: | InChI=1S/C18H18F3N5/c19-18(20,21)13-6-4-5-12(11-13)17-24-23-16-10-9-15(25-26(16)17)22-14-7-2-1-3-8-14/h4-6,9-11,14H,1-3,7-8H2,(H,22,25) | 定義日: | 2007-11-28 | 最終更新日: | 2011-06-04 | 識別子(ID): | N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine |
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![ZY6 ZY6](https://data.pdbj.org/pdbjplus/data/cc/svg/ZY6.svg) | ZY6 | 表記: | 1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine | 組成式: | C17 H19 N5 O | SMILES: | n2cc1c(c(cnc1n2)c3ccccc3)N4CC(OCC4)CN | InChi: | InChI=1S/C17H19N5O/c18-8-13-11-22(6-7-23-13)16-14(12-4-2-1-3-5-12)9-19-17-15(16)10-20-21-17/h1-5,9-10,13H,6-8,11,18H2,(H,19,20,21)/t13-/m0/s1 | 定義日: | 2009-07-03 | 最終更新日: | 2011-06-04 | 識別子(ID): | 1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine |
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![UNI UNI](https://data.pdbj.org/pdbjplus/data/cc/svg/UNI.svg) | UNI | 表記: | 4-CYANO-N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-2-OXO-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYL BENZENSULFONAMIDE | 組成式: | C28 H28 N2 O5 S | SMILES: | N#Cc1ccc(cc1)S(=O)(=O)Nc2cccc(c2)C(C3=C(O)C4=C(OC3=O)CCCCCC4)C5CC5 | InChi: | InChI=1S/C28H28N2O5S/c29-17-18-10-14-22(15-11-18)36(33,34)30-21-7-5-6-20(16-21)25(19-12-13-19)26-27(31)23-8-3-1-2-4-9-24(23)35-28(26)32/h5-7,10-11,14-16,19,25,30-31H,1-4,8-9,12-13H2/t25-/m0/s1 | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | 4-cyano-N-{3-[(S)-cyclopropyl(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)methyl]phenyl}benzenesulfonamide |
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![ZYW ZYW](https://data.pdbj.org/pdbjplus/data/cc/svg/ZYW.svg) | ZYW | 表記: | 1-[(2S)-4-(5-BROMO-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)MORPHOLIN-2-YL]METHANAMINE | 組成式: | C11 H14 Br N5 O | SMILES: | Brc1cnc3c(c1N2CC(OCC2)CN)cnn3 | InChi: | InChI=1S/C11H14BrN5O/c12-9-5-14-11-8(4-15-16-11)10(9)17-1-2-18-7(3-13)6-17/h4-5,7H,1-3,6,13H2,(H,14,15,16)/t7-/m0/s1 | 定義日: | 2009-07-03 | 最終更新日: | 2011-06-04 | 識別子(ID): | 1-[(2S)-4-(5-bromo-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine |
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![WY2 WY2](https://data.pdbj.org/pdbjplus/data/cc/svg/WY2.svg) | WY2 | 表記: | (6,7-DIHYDRO-5H-CYCLOPENTA[D]IMIDAZO[2,1-B]THIAZOL-2-YL]-4,7-DIHYDRO[1,4]THIAZEPINE-3,6-DICARBOXYLIC ACID | 組成式: | C15 H13 N3 O4 S2 | SMILES: | O=C(O)C1=NC=C(C(=O)O)C(SC1)c2nc3sc4c(n3c2)CCC4 | InChi: | InChI=1S/C15H13N3O4S2/c19-13(20)7-4-16-9(14(21)22)6-23-12(7)8-5-18-10-2-1-3-11(10)24-15(18)17-8/h4-5,12H,1-3,6H2,(H,19,20)(H,21,22)/t12-/m1/s1 | 定義日: | 2003-08-21 | 最終更新日: | 2011-06-04 | 識別子(ID): | (7R)-7-(6,7-dihydro-5H-cyclopenta[d]imidazo[2,1-b][1,3]thiazol-2-yl)-2,7-dihydro-1,4-thiazepine-3,6-dicarboxylic acid |
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![ZZ5 ZZ5](https://data.pdbj.org/pdbjplus/data/cc/svg/ZZ5.svg) | ZZ5 | 表記: | 3,6-DIAMINO-5-CYANO-4-(4-ETHOXYPHENYL)THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE | 組成式: | C17 H15 N5 O2 S | SMILES: | N#Cc1c(c2c(nc1N)sc(c2N)C(=O)N)c3ccc(OCC)cc3 | InChi: | InChI=1S/C17H15N5O2S/c1-2-24-9-5-3-8(4-6-9)11-10(7-18)15(20)22-17-12(11)13(19)14(25-17)16(21)23/h3-6H,2,19H2,1H3,(H2,20,22)(H2,21,23) | 定義日: | 2009-05-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | 3,6-diamino-5-cyano-4-(4-ethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide |
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![WYE WYE](https://data.pdbj.org/pdbjplus/data/cc/svg/WYE.svg) | WYE | 表記: | (2Z)-4,6-dihydroxy-2-{[1-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methylidene}-1-benzofuran-3(2H)-one | 組成式: | C22 H22 N4 O4 | SMILES: | CN1CCN(CC1)c2ccnc3n(C)cc(C=C4Oc5cc(O)cc(O)c5C4=O)c23 | InChi: | InChI=1S/C22H22N4O4/c1-24-5-7-26(8-6-24)15-3-4-23-22-19(15)13(12-25(22)2)9-18-21(29)20-16(28)10-14(27)11-17(20)30-18/h3-4,9-12,27-28H,5-8H2,1-2H3/b18-9- | 定義日: | 2010-02-10 | 最終更新日: | 2011-06-04 | 識別子(ID): | (2Z)-4,6-dihydroxy-2-[[1-methyl-4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-3-yl]methylidene]-1-benzofuran-3-one |
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![ZZB ZZB](https://data.pdbj.org/pdbjplus/data/cc/svg/ZZB.svg) | ZZB | 表記: | [(1S,3S,5R,6R,8R)-6-(6-AMINOPURIN-9-YL)-4'-ETHYLAMINO-3'-FLUORO-SPIRO[2,4,7-TRIOXA-3-BORANUIDABICYCLO[3.3.0]OCTANE-3,7'-8-OXA-7-BORANUIDABICYCLO[4.3.0]NONA-1,3,5-TRIENE]-8-YL]METHYL DIHYDROGEN PHOSPHATE | 組成式: | C19 H22 B F N6 O8 P | SMILES: | CCNc1cc2c(CO[B-]23O[CH]4[CH](CO[P](O)(O)=O)O[CH]([CH]4O3)n5cnc6c(N)ncnc56)cc1F | InChi: | InChI=1S/C19H22BFN6O8P/c1-2-23-12-4-10-9(3-11(12)21)5-31-20(10)34-15-13(6-32-36(28,29)30)33-19(16(15)35-20)27-8-26-14-17(22)24-7-25-18(14)27/h3-4,7-8,13,15-16,19,23H,2,5-6H2,1H3,(H2,22,24,25)(H2,28,29,30)/q-1/t13-,15-,16-,19-,20+/m1/s1 | 定義日: | 2009-04-06 | 最終更新日: | 2011-06-04 | 識別子(ID): | [(1S,3S,5R,6R,8R)-6-(6-aminopurin-9-yl)-4'-ethylamino-3'-fluoro-spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl]methyl dihydrogen phosphate |
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![ZZC ZZC](https://data.pdbj.org/pdbjplus/data/cc/svg/ZZC.svg) | ZZC | 表記: | [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [[(2R,3R)-2,3-DIHYDROXY-4-OXO-PENTOXY]-OXIDO-PHOSPHORYL] PHOSPHATE | 組成式: | C15 H21 N5 O13 P2 | SMILES: | CC(=O)[CH](O)[CH](O)CO[P]([O-])(=O)O[P]([O-])(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23 | InChi: | InChI=1S/C15H23N5O13P2/c1-6(21)10(23)7(22)2-30-34(26,27)33-35(28,29)31-3-8-11(24)12(25)15(32-8)20-5-19-9-13(16)17-4-18-14(9)20/h4-5,7-8,10-12,15,22-25H,2-3H2,1H3,(H,26,27)(H,28,29)(H2,16,17,18)/p-2/t7-,8-,10+,11-,12-,15-/m1/s1 | 定義日: | 2009-07-23 | 最終更新日: | 2011-06-04 | 識別子(ID): | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3R)-2,3-dihydroxy-4-oxo-pentoxy]-oxido-phosphoryl] phosphate |
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![ZZR ZZR](https://data.pdbj.org/pdbjplus/data/cc/svg/ZZR.svg) | ZZR | 表記: | 3,6-diamino-1,5-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazol-4-ium | 組成式: | C3 H6 N7 | SMILES: | n1c(N)n[n+]2c(nnc12)N | InChi: | InChI=1S/C3H5N7/c4-1-6-3-8-7-2(5)10(3)9-1/h(H5,4,5,6,7,8,9)/p+1 | 定義日: | 2009-11-10 | 最終更新日: | 2011-06-04 | 識別子(ID): | 3,6-diamino-1,5-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazol-4-ium |
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![ZZW ZZW](https://data.pdbj.org/pdbjplus/data/cc/svg/ZZW.svg) | ZZW | 表記: | 9-(4-fluorobenzyl)-N-hydroxy-9H-beta-carboline-3-carboxamide | 組成式: | C19 H14 F N3 O2 | SMILES: | Fc1ccc(cc1)Cn3c4c(c2cc(ncc23)C(=O)NO)cccc4 | InChi: | InChI=1S/C19H14FN3O2/c20-13-7-5-12(6-8-13)11-23-17-4-2-1-3-14(17)15-9-16(19(24)22-25)21-10-18(15)23/h1-10,25H,11H2,(H,22,24) | 定義日: | 2010-10-04 | 最終更新日: | 2011-06-04 | 識別子(ID): | 9-(4-fluorobenzyl)-N-hydroxy-9H-beta-carboline-3-carboxamide |
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![ZZY ZZY](https://data.pdbj.org/pdbjplus/data/cc/svg/ZZY.svg) | ZZY | 表記: | 1-[(2-NITROPHENYL)SULFONYL]-1H-PYRROLO[3,2-B]PYRIDINE-6-CARBOXAMIDE | 組成式: | C14 H10 N4 O5 S | SMILES: | [O-][N+](=O)c1ccccc1S(=O)(=O)n3c2cc(cnc2cc3)C(=O)N | InChi: | InChI=1S/C14H10N4O5S/c15-14(19)9-7-12-10(16-8-9)5-6-17(12)24(22,23)13-4-2-1-3-11(13)18(20)21/h1-8H,(H2,15,19) | 定義日: | 2009-03-19 | 最終更新日: | 2011-06-04 | 識別子(ID): | 1-[(2-nitrophenyl)sulfonyl]-1H-pyrrolo[3,2-b]pyridine-6-carboxamide |
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![UPU UPU](https://data.pdbj.org/pdbjplus/data/cc/svg/UPU.svg) | UPU | 表記: | [(2R,3S,4R,5R)-5-(2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL (2R,3S,4R,5R)-5-(2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-4-HYDROXY-2-(HYDROXYMETHYL)TETRAHYDROFURAN-3-YL HYDROGEN (S)-PHOSPHATE | 組成式: | C18 H23 N4 O14 P | SMILES: | O=C1C=CN(C(=O)N1)C4OC(CO)C(OP(=O)(O)OCC3OC(N2C(=O)NC(=O)C=C2)C(O)C3O)C4O | InChi: | InChI=1S/C18H23N4O14P/c23-5-7-14(13(28)16(34-7)22-4-2-10(25)20-18(22)30)36-37(31,32)33-6-8-11(26)12(27)15(35-8)21-3-1-9(24)19-17(21)29/h1-4,7-8,11-16,23,26-28H,5-6H2,(H,31,32)(H,19,24,29)(H,20,25,30)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1 | 定義日: | 2007-05-24 | 最終更新日: | 2011-06-04 | 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,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl hydrogen (S)-phosphate (non-preferred name) |
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![ZKD ZKD](https://data.pdbj.org/pdbjplus/data/cc/svg/ZKD.svg) | ZKD | 表記: | URIDINE-DIPHOSPHATE-1-DEOXY-1-THIO-N-ACETYLGLUCOSAMINE | 組成式: | C17 H27 N3 O16 P2 S | SMILES: | O=P(SC1OC(C(O)C(O)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O | InChi: | InChI=1S/C17H27N3O16P2S/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)39-38(31,32)36-37(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10+,11-,12-,13-,14-,15-,16-/m1/s1 | 定義日: | 2010-06-07 | 最終更新日: | 2011-06-04 | 識別子(ID): | S-[(2R,3S,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl] O-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl} dihydrogen thiodiphosphate (non-preferred name) |
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![SBD SBD](https://data.pdbj.org/pdbjplus/data/cc/svg/SBD.svg) | SBD | 表記: | D-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINE | 組成式: | C17 H22 B N2 O6 | SMILES: | O=C(O)C(N)CO[B-](O)(O)C(NC(=O)C)Cc2cccc1ccccc12 | InChi: | InChI=1S/C17H22BN2O6/c1-11(21)20-16(18(24,25)26-10-15(19)17(22)23)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,15-16,24-25H,9-10,19H2,1H3,(H,20,21)(H,22,23)/q-1/t15-,16+/m0/s1 | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | [(1S)-1-(acetylamino)-2-naphthalen-1-ylethyl](dihydroxy)(L-serinato-kappaO~3~)borate(1-) |
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