![27J 27J](https://data.pdbj.org/pdbjplus/data/cc/svg/27J.svg) | 27J | 表記: | alpha-zearalanol | 組成式: | C18 H26 O5 | SMILES: | O=C1OC(CCCC(O)CCCCCc2cc(O)cc(O)c12)C | InChi: | InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12-,14+/m0/s1 | 別名: | (3S,7R)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-1H-2-benzoxacyclotetradecin-1-one | 定義日: | 2013-09-05 | 最終更新日: | 2021-03-13 | 公開日: | 2014-09-03 | 識別子(ID): | (3S,7R)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-1H-2-benzoxacyclotetradecin-1-one |
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![28Y 28Y](https://data.pdbj.org/pdbjplus/data/cc/svg/28Y.svg) | 28Y | 表記: | 3H-imidazo[2,1-b]purin-4(5H)-one | 組成式: | C7 H5 N5 O | SMILES: | O=C3c1c(ncn1)n2c(ncc2)N3 | InChi: | InChI=1S/C7H5N5O/c13-6-4-5(10-3-9-4)12-2-1-8-7(12)11-6/h1-3H,(H,9,10)(H,8,11,13) | 別名: | N2,3-ethenoguanine | 定義日: | 2013-09-11 | 最終更新日: | 2021-03-13 | 公開日: | 2014-10-15 | 識別子(ID): | 3H-imidazo[2,1-b]purin-4(5H)-one |
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![29N 29N](https://data.pdbj.org/pdbjplus/data/cc/svg/29N.svg) | 29N | 表記: | 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one | 組成式: | C12 H21 N3 O3 | SMILES: | O=C(N1CN(C(=O)CC)CN(C(=O)CC)C1)CC | InChi: | InChI=1S/C12H21N3O3/c1-4-10(16)13-7-14(11(17)5-2)9-15(8-13)12(18)6-3/h4-9H2,1-3H3 | 別名: | 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)triprop-2-en-1-one, bound form | 定義日: | 2013-09-12 | 最終更新日: | 2021-03-13 | 公開日: | 2014-02-05 | 識別子(ID): | 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one |
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![2DD 2DD](https://data.pdbj.org/pdbjplus/data/cc/svg/2DD.svg) | 2DD | 表記: | 3-(5-CHLORO-2,4-DIHYDROXY-PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID 4-SULFAMOYL-BENZYLAMIDE | 組成式: | C17 H15 Cl N4 O5 S | SMILES: | O=S(=O)(N)c1ccc(cc1)CNC(=O)c3cnnc3c2c(O)cc(O)c(Cl)c2 | InChi: | InChI=1S/C17H15ClN4O5S/c18-13-5-11(14(23)6-15(13)24)16-12(8-21-22-16)17(25)20-7-9-1-3-10(4-2-9)28(19,26)27/h1-6,8,23-24H,7H2,(H,20,25)(H,21,22)(H2,19,26,27) | 別名: | N-[4-(AMINOSULFONYL)BENZYL]-5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE | 定義日: | 2005-08-02 | 最終更新日: | 2021-03-13 | 識別子(ID): | 5-(5-chloro-2,4-dihydroxyphenyl)-N-(4-sulfamoylbenzyl)-1H-pyrazole-4-carboxamide |
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![2DT 2DT](https://data.pdbj.org/pdbjplus/data/cc/svg/2DT.svg) | 2DT | 表記: | 3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE | 組成式: | C10 H15 N2 O7 P | SMILES: | O=C1NC(=O)N(C=C1C)C2OC(CC2)COP(=O)(O)O | InChi: | InChI=1S/C10H15N2O7P/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(19-8)5-18-20(15,16)17/h4,7-8H,2-3,5H2,1H3,(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1 | 別名: | 2',3'-DIDEOXYTHYMIDINE-5'-MONOPHOSPHATE | 定義日: | 1999-07-07 | 最終更新日: | 2021-03-13 | 識別子(ID): | [(2S,5R)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
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![CTZ CTZ](https://data.pdbj.org/pdbjplus/data/cc/svg/CTZ.svg) | CTZ | 表記: | C2-HYDROXY-COELENTERAZINE | 組成式: | C26 H21 N3 O4 | SMILES: | O=C1N3C=C(N=C(C3=NC1(O)Cc2ccc(O)cc2)Cc4ccccc4)c5ccc(O)cc5 | InChi: | InChI=1S/C26H21N3O4/c30-20-10-6-18(7-11-20)15-26(33)25(32)29-16-23(19-8-12-21(31)13-9-19)27-22(24(29)28-26)14-17-4-2-1-3-5-17/h1-13,16,30-31,33H,14-15H2/t26-/m0/s1 | 別名: | 8-BENZYL-2-HYDROXY-2-(4-HYDROXY-BENZYL)-6-(4-HYDROXY-PHENYL)-2H-IMIDAZO[1,2-A]PYRAZIN-3-ONE | 定義日: | 2000-03-21 | 最終更新日: | 2021-03-13 | 識別子(ID): | (2S)-8-benzyl-2-hydroxy-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3(2H)-one |
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![CUF CUF](https://data.pdbj.org/pdbjplus/data/cc/svg/CUF.svg) | CUF | 表記: | [2,2'-{(4,5-difluorobenzene-1,2-diyl)bis[(nitrilo-kappaN)methylylidene]}bis{5-[2-(piperidin-1-yl)ethoxy]phenolato-kappaO}(2-)]copper (II) | 組成式: | C34 H38 Cu F2 N4 O4 | SMILES: | Fc8cc3c(N5=Cc7c(O[Cu]54Oc2cc(OCCN1CCCCC1)ccc2C=N34)cc(OCCN6CCCCC6)cc7)cc8F | InChi: | InChI=1S/C34H40F2N4O4.Cu/c35-29-21-31(37-23-25-7-9-27(19-33(25)41)43-17-15-39-11-3-1-4-12-39)32(22-30(29)36)38-24-26-8-10-28(20-34(26)42)44-18-16-40-13-5-2-6-14-40 | 別名: | N,N-Bis[4-[[1-(2-ethyl)piperidine]oxy]salicylidene]-4,5-difluoro-1,2-phenylenediamine-Copper (II) | 定義日: | 2011-03-03 | 最終更新日: | 2021-03-13 | 識別子(ID): | [2,2'-{(4,5-difluorobenzene-1,2-diyl)bis[(nitrilo-kappaN)methylylidene]}bis{5-[2-(piperidin-1-yl)ethoxy]phenolato-kappaO}(2-)]copper |
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![CUR CUR](https://data.pdbj.org/pdbjplus/data/cc/svg/CUR.svg) | CUR | 表記: | (1Z,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one | 組成式: | C21 H20 O6 | SMILES: | O=C(C=C(/O)C=Cc1ccc(O)c(OC)c1)C=C/c2cc(OC)c(O)cc2 | InChi: | InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,22,24-25H,1-2H3/b7-3+,8-4-,16-13- | 別名: | Curcumin, enol form | 定義日: | 2014-05-29 | 最終更新日: | 2021-03-13 | 公開日: | 2014-10-08 | 識別子(ID): | (1Z,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one |
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![CW7 CW7](https://data.pdbj.org/pdbjplus/data/cc/svg/CW7.svg) | CW7 | 表記: | Cotylenin A | 組成式: | C33 H50 O11 | SMILES: | O4C(C5OC6C(O)C(OC2C1=C(C(C)C)CCC1(C)CC3C(O)(COC)CCC3C(=C)C2O)OC(C46O5)COC)(C7OC7)C | InChi: | InChI=1S/C33H50O11/c1-16(2)18-8-10-30(4)12-20-19(9-11-32(20,36)15-38-7)17(3)24(34)26(23(18)30)41-28-25(35)27-33(22(40-28)13-37-6)43-29(42-27)31(5,44-33)21-14-39-21/h16,19-22,24-29,34-36H,3,8-15H2,1-2,4-7H3/t19-,20-,21-,22+,24+,25-,26+,27+,28+,29-,30+,31-,32-,33+/m0/s1 | 別名: | (1R,3aR,5R,6R,9aR,10aS)-6-({(1S,2R,4S,5S,6R,8S,9S)-5-hydroxy-2-(methoxymethyl)-9-methyl-9-[(2S)-oxiran-2-yl]-3,7,10,11-tetraoxatricyclo[6.2.1.0~1,6~]undec-4-yl}oxy)-1-(methoxymethyl)-9a-methyl-4-methylidene-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d][8]annulene-1,5-diol | 定義日: | 2011-07-07 | 最終更新日: | 2021-03-13 | 識別子(ID): | (1R,3aR,5R,6R,9aR,10aS)-6-({(1S,2R,4S,5S,6R,8S,9S)-5-hydroxy-2-(methoxymethyl)-9-methyl-9-[(2S)-oxiran-2-yl]-3,7,10,11-tetraoxatricyclo[6.2.1.0~1,6~]undec-4-yl}oxy)-1-(methoxymethyl)-9a-methyl-4-methylidene-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d][8]annulene-1,5-diol (non-preferred name) |
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![CXU CXU](https://data.pdbj.org/pdbjplus/data/cc/svg/CXU.svg) | CXU | 表記: | CLOXACILLIN (OPEN FORM) | 組成式: | C19 H20 Cl N3 O5 S | SMILES: | O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)c3c(onc3c2ccccc2Cl)C | InChi: | InChI=1S/C19H20ClN3O5S/c1-9-13(14(23-28-9)10-6-4-5-7-11(10)20)16(25)21-12(8-24)17-22-15(18(26)27)19(2,3)29-17/h4-8,12,15,17,22H,1-3H3,(H,21,25)(H,26,27)/t12-,15+,17-/m1/s1 | 別名: | (2R,4S)-2-[(1R)-1-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | 定義日: | 2011-08-16 | 最終更新日: | 2021-03-13 | 識別子(ID): | (2R,4S)-2-[(1R)-1-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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![CY8 CY8](https://data.pdbj.org/pdbjplus/data/cc/svg/CY8.svg) | CY8 | 表記: | Cyclopamine | 組成式: | C27 H41 N O2 | SMILES: | OC6CC5=CCC4C(CC3=C(C1(OC2CC(CNC2C1C)C)CCC34)C)C5(C)CC6 | InChi: | InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27-/m0/s1 | 別名: | (3alpha,8alpha,14beta,22S,23R)-17,23-epoxyveratraman-3-ol | 定義日: | 2014-01-07 | 最終更新日: | 2021-03-13 | 公開日: | 2014-03-05 | 識別子(ID): | (3alpha,8alpha,14beta,22S,23R)-17,23-epoxyveratraman-3-ol |
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![012 012](https://data.pdbj.org/pdbjplus/data/cc/svg/012.svg) | 012 | 表記: | (4S)-N-[(1S,2R)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-1-(3-methoxybenzyl)-2-oxoimidazolidine-4-carboxamide | 組成式: | C31 H39 N5 O4 | SMILES: | O=C3NC(C(=O)NC(Cc1ccccc1)C(O)CNCc2cccc(N(C)C)c2)CN3Cc4cc(OC)ccc4 | InChi: | InChI=1S/C31H39N5O4/c1-35(2)25-13-7-11-23(15-25)18-32-19-29(37)27(17-22-9-5-4-6-10-22)33-30(38)28-21-36(31(39)34-28)20-24-12-8-14-26(16-24)40-3/h4-16,27-29,32,37H,17-21H2,1-3H3,(H,33,38)(H,34,39)/t27-,28-,29+/m0/s1 | 別名: | (S)-1-(3-methoxy-benzyl)-2-oxo-imidazolidine-4-carboxylic acid[(1S,2R)-1-benzyl-3-(3-dimethylamino-benzylamino)-2-hydroxy-propyl]-amide | 定義日: | 2008-03-17 | 最終更新日: | 2021-03-13 | 識別子(ID): | (4S)-N-[(1S,2R)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-1-(3-methoxybenzyl)-2-oxoimidazolidine-4-carboxamide |
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![0EK 0EK](https://data.pdbj.org/pdbjplus/data/cc/svg/0EK.svg) | 0EK | 表記: | 6-ammonio-N-{[(2R,3R)-3-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-4-cyclohexyl-2-hydroxybutyl](2-methylpropyl)carbamoyl}-L-norleucyl-L-phenylalanine | 組成式: | C50 H77 N9 O9 | SMILES: | O=C(O)C(NC(=O)C(NC(=O)N(CC(C)C)CC(O)C(NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)Cc1ccccc1)Cc2cnc[nH+]2)CC3CCCCC3)CCCC[NH3+])Cc4ccccc4 | InChi: | InChI=1S/C50H75N9O9/c1-33(2)30-59(48(66)57-38(23-15-16-24-51)44(61)56-42(47(64)65)27-36-21-13-8-14-22-36)31-43(60)39(25-34-17-9-6-10-18-34)54-46(63)41(28-37-29-52-32-53-37)55-45(62)40(26-35-19-11-7-12-20-35)58-49(67)68-50(3,4)5/h7-8,11-14,19-22,29,32-34,38-43,60H,6,9-10,15-18,23-28,30-31,51H2,1-5H3,(H,52,53)(H,54,63)(H,55,62)(H,56,61)(H,57,66)(H,58,67)(H,64,65)/p+2/t38-,39-,40-,41-,42-,43-/m0/s1 | 別名: | CP-69,799 | 定義日: | 2008-09-14 | 最終更新日: | 2021-03-13 | 識別子(ID): | 6-ammonio-N-{[(2R,3R)-3-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-4-cyclohexyl-2-hydroxybutyl](2-methylpropyl)carbamoyl}-L-norleucyl-L-phenylalanine |
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![0EM 0EM](https://data.pdbj.org/pdbjplus/data/cc/svg/0EM.svg) | 0EM | 表記: | N-(tert-butoxycarbonyl)-L-phenylalanyl-N-{(1S)-1-[(R)-hydroxy(2-{[(2S)-2-methylbutyl]amino}-2-oxoethyl)phosphoryl]-3-methylbutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide | 組成式: | C32 H52 N6 O7 P | SMILES: | O=C(NCC(C)CC)CP(=O)(O)C(NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)Cc1ccccc1)Cc2cnc[nH+]2)CC(C)C | InChi: | InChI=1S/C32H51N6O7P/c1-8-22(4)17-34-27(39)19-46(43,44)28(14-21(2)3)38-30(41)26(16-24-18-33-20-35-24)36-29(40)25(15-23-12-10-9-11-13-23)37-31(42)45-32(5,6)7/h9-13,18,20-22,25-26,28H,8,14-17,19H2,1-7H3,(H,33,35)(H,34,39)(H,36,40)(H,37,42)(H,38,41)(H,43,44)/p+1/t22-,25-,26-,28+/m0/s1 | 別名: | PD-130,328 | 定義日: | 2008-09-14 | 最終更新日: | 2021-03-13 | 識別子(ID): | N-(tert-butoxycarbonyl)-L-phenylalanyl-N-{(1S)-1-[(R)-hydroxy(2-{[(2S)-2-methylbutyl]amino}-2-oxoethyl)phosphoryl]-3-methylbutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide |
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![8GD 8GD](https://data.pdbj.org/pdbjplus/data/cc/svg/8GD.svg) | 8GD | 表記: | 2'-deoxy-8-oxoguanosine 5'-(trihydrogen diphosphate) | 組成式: | C10 H15 N5 O11 P2 | SMILES: | NC1=NC2=C(NC(=O)N2[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(O)=O)O3)C(=O)N1 | InChi: | InChI=1S/C10H15N5O11P2/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(25-5)2-24-28(22,23)26-27(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H,22,23)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1 | 別名: | 8-oxo-7,8-dihydro-2'-deoxy-guanosine-5'-diphosphate | 定義日: | 2010-01-09 | 最終更新日: | 2021-03-13 | 識別子(ID): | [(2R,3S,5R)-5-(2-azanyl-6,8-dioxo-1,7-dihydropurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate |
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![8ID 8ID](https://data.pdbj.org/pdbjplus/data/cc/svg/8ID.svg) | 8ID | 表記: | NICOTINAMIDE-8-IODO-ADENINE-DINUCLEOTIDE | 組成式: | C21 H27 I N7 O14 P2 | SMILES: | NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4c(I)nc5c(N)ncnc45)[CH](O)[CH]2O | InChi: | InChI=1S/C21H26IN7O14P2/c22-21-27-11-16(23)25-7-26-18(11)29(21)20-15(33)13(31)10(42-20)6-40-45(37,38)43-44(35,36)39-5-9-12(30)14(32)19(41-9)28-3-1-2-8(4-28)17(24)34/h1-4,7,9-10,12-15,19-20,30-33H,5-6H2,(H5-,23,24,25,26,34,35,36,37,38)/p+1/t9-,10-,12-,13-,14-,15-,19-,20-/m1/s1 | 別名: | 3-(AMINOCARBONYL)-1-[(2R,3R,4S,5R)-5-({[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(6-AMINO-8-IODO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]OXY}METHYL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]PYRIDINIUM | 定義日: | 2006-06-20 | 最終更新日: | 2021-03-13 | 識別子(ID): | [(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-amino-8-iodo-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate |
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![8N9 8N9](https://data.pdbj.org/pdbjplus/data/cc/svg/8N9.svg) | 8N9 | 表記: | 2-[(2E)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[1,2-bis(oxidanyl)ethylidene]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate | 組成式: | C14 H22 N4 O9 P2 S | SMILES: | Cc1ncc(CN2C(=C(CCO[P](O)(=O)O[P](O)(O)=O)SC2=C(O)CO)C)c(N)n1 | InChi: | InChI=1S/C14H22N4O9P2S/c1-8-12(3-4-26-29(24,25)27-28(21,22)23)30-14(11(20)7-19)18(8)6-10-5-16-9(2)17-13(10)15/h5,19-20H,3-4,6-7H2,1-2H3,(H,24,25)(H2,15,16,17)(H2,21,22,23)/b14-11+ | 別名: | (E)-2(3-((4-amino-2-methylpyrimidin-5-yl)methyl)-2-(1,2-dihydroxyethylidene)-4-methyl-2,3-dihydrothiazol-5-yl)ethyl trihydrogen diphosphate | 定義日: | 2017-08-09 | 最終更新日: | 2021-03-13 | 公開日: | 2018-06-27 | 識別子(ID): | 2-[(2~{E})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[1,2-bis(oxidanyl)ethylidene]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate |
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![8OG 8OG](https://data.pdbj.org/pdbjplus/data/cc/svg/8OG.svg) | 8OG | 表記: | 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE | 組成式: | C10 H14 N5 O8 P | SMILES: | O=C1C=2NC(=O)N(C=2N=C(N)N1)C3OC(C(O)C3)COP(=O)(O)O | InChi: | InChI=1S/C10H14N5O8P/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(23-5)2-22-24(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1 | 別名: | 8-OXO-7,8-DIHYDRO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE | 定義日: | 2000-10-03 | 最終更新日: | 2021-03-13 | 識別子(ID): | 2'-deoxy-8-oxoguanosine 5'-(dihydrogen phosphate) |
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![BL6 BL6](https://data.pdbj.org/pdbjplus/data/cc/svg/BL6.svg) | BL6 | 表記: | (3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one | 組成式: | C18 H16 N2 O2 | SMILES: | O=C2c4c(N=C3N(c1ccccc1)CCC23O)cc(cc4)C | InChi: | InChI=1S/C18H16N2O2/c1-12-7-8-14-15(11-12)19-17-18(22,16(14)21)9-10-20(17)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3/t18-/m1/s1 | 別名: | S-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one | 定義日: | 2008-01-19 | 最終更新日: | 2021-03-13 | 識別子(ID): | (3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one |
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![BL7 BL7](https://data.pdbj.org/pdbjplus/data/cc/svg/BL7.svg) | BL7 | 表記: | (3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one | 組成式: | C17 H14 N2 O2 | SMILES: | O=C2c4c(N=C3N(c1ccccc1)CCC23O)cccc4 | InChi: | InChI=1S/C17H14N2O2/c20-15-13-8-4-5-9-14(13)18-16-17(15,21)10-11-19(16)12-6-2-1-3-7-12/h1-9,21H,10-11H2/t17-/m1/s1 | 別名: | (S-3a)-3a-hydroxy-1-phenyl-1,2,3,3A-tetrahydro-4H-pyrrol[2,3-B]quinolin-4-one | 定義日: | 2008-01-19 | 最終更新日: | 2021-03-13 | 識別子(ID): | (3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one |
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![BMF BMF](https://data.pdbj.org/pdbjplus/data/cc/svg/BMF.svg) | BMF | 表記: | Bromosporine | 組成式: | C17 H20 N6 O4 S | SMILES: | c1(ccc(C)c(c1)NS(=O)(C)=O)c2nn3c(c(NC(OCC)=O)c2)nnc3C | InChi: | InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24) | 別名: | ethyl (3-methyl-6-{4-methyl-3-[(methylsulfonyl)amino]phenyl}[1,2,4]triazolo[4,3-b]pyridazin-8-yl)carbamate | 定義日: | 2015-06-19 | 最終更新日: | 2021-03-13 | 公開日: | 2015-07-07 | 識別子(ID): | ethyl (3-methyl-6-{4-methyl-3-[(methylsulfonyl)amino]phenyl}[1,2,4]triazolo[4,3-b]pyridazin-8-yl)carbamate |
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![BP7 BP7](https://data.pdbj.org/pdbjplus/data/cc/svg/BP7.svg) | BP7 | 表記: | 1,1'-BIPHENYL-3,4-DIOL | 組成式: | C12 H10 O2 | SMILES: | Oc2ccc(c1ccccc1)cc2O | InChi: | InChI=1S/C12H10O2/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-8,13-14H | 別名: | 3,4-DIHYDROXYBIPHENYL | 定義日: | 2005-12-14 | 最終更新日: | 2021-03-13 | 識別子(ID): | biphenyl-3,4-diol |
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![BR1 BR1](https://data.pdbj.org/pdbjplus/data/cc/svg/BR1.svg) | BR1 | 表記: | (1S)-1-{5-[5-(bromomethyl)pyridin-2-yl]-1,3-oxazol-2-yl}-7-phenylheptan-1-ol | 組成式: | C22 H25 Br N2 O2 | SMILES: | BrCc1ccc(nc1)c2oc(nc2)C(O)CCCCCCc3ccccc3 | InChi: | InChI=1S/C22H25BrN2O2/c23-14-18-12-13-19(24-15-18)21-16-25-22(27-21)20(26)11-7-2-1-4-8-17-9-5-3-6-10-17/h3,5-6,9-10,12-13,15-16,20,26H,1-2,4,7-8,11,14H2/t20-/m0/s1 | 別名: | 1-(5-(5-(bromomethyl)pyridin-2-yl)-7-phenylheptan-1-one, bound form | 定義日: | 2013-02-14 | 最終更新日: | 2021-03-13 | 公開日: | 2013-05-01 | 識別子(ID): | (1S)-1-{5-[5-(bromomethyl)pyridin-2-yl]-1,3-oxazol-2-yl}-7-phenylheptan-1-ol |
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![BRA BRA](https://data.pdbj.org/pdbjplus/data/cc/svg/BRA.svg) | BRA | 表記: | 9-[4-(n,n-dimethylamino)phenylamino]-3,6-bis(3-pyrrolidinopropionamido) acridine | 組成式: | C35 H43 N7 O2 | SMILES: | O=C(Nc5cc4nc2cc(NC(=O)CCN1CCCC1)ccc2c(Nc3ccc(N(C)C)cc3)c4cc5)CCN6CCCC6 | InChi: | InChI=1S/C35H43N7O2/c1-40(2)28-11-7-25(8-12-28)38-35-29-13-9-26(36-33(43)15-21-41-17-3-4-18-41)23-31(29)39-32-24-27(10-14-30(32)35)37-34(44)16-22-42-19-5-6-20-42/h7-14,23-24H,3-6,15-22H2,1-2H3,(H,36,43)(H,37,44)(H,38,39) | 別名: | N,N'-(9-{[4-(dimethylamino)phenyl]amino}acridine-3,6-diyl)bis(3-pyrrolidin-1-ylpropanamide) | 定義日: | 2008-03-18 | 最終更新日: | 2021-03-13 | 識別子(ID): | N,N'-(9-{[4-(dimethylamino)phenyl]amino}acridine-3,6-diyl)bis(3-pyrrolidin-1-ylpropanamide) |
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![BSO BSO](https://data.pdbj.org/pdbjplus/data/cc/svg/BSO.svg) | BSO | 表記: | BIOTIN-D-SULFOXIDE | 組成式: | C10 H16 N2 O4 S | SMILES: | O=S2CC1NC(=O)NC1C2CCCCC(=O)O | InChi: | InChI=1S/C10H16N2O4S/c13-8(14)4-2-1-3-7-9-6(5-17(7)16)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-,17-/m0/s1 | 別名: | 5-[(3AR,4R,6AS)-5-OXIDO-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANOIC ACID | 定義日: | 2005-09-19 | 最終更新日: | 2021-03-13 | 識別子(ID): | 5-[(3aS,4S,5S,6aR)-5-oxido-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid |
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