![ONA ONA](https://data.pdbj.org/pdbjplus/data/cc/svg/ONA.svg) | ONA | 表記: | 3'-O-[2-(METHYLAMINO)BENZOYL]ADENOSINE 5'-(TETRAHYDROGEN TRIPHOSPHATE) | 組成式: | C18 H23 N6 O14 P3 | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC4OC(n2cnc1c(ncnc12)N)C(O)C4OC(=O)c3ccccc3NC | InChi: | InChI=1S/C18H23N6O14P3/c1-20-10-5-3-2-4-9(10)18(26)36-14-11(6-34-40(30,31)38-41(32,33)37-39(27,28)29)35-17(13(14)25)24-8-23-12-15(19)21-7-22-16(12)24/h2-5,7-8,11,13-14,17,20,25H,6H2,1H3,(H,30,31)(H,32,33)(H2,19,21,22)(H2,27,28,29)/t11-,13-,14-,17-/m1/s1 | 別名: | 2'(3')-O-(N-METHYLANTHRANILOYL)-ADENOSINE 5'-TRIPHOSPHATE | 定義日: | 2006-05-08 | 最終更新日: | 2021-03-01 | 識別子(ID): | 3'-O-{[2-(methylamino)phenyl]carbonyl}adenosine 5'-(tetrahydrogen triphosphate) |
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![815 815](https://data.pdbj.org/pdbjplus/data/cc/svg/815.svg) | 815 | 表記: | THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1-(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-2-OXO-PYRROLDIN-3-YL]-AMIDE | 組成式: | C21 H19 N5 O3 S2 | SMILES: | O=C3N(Cc2cc1c(nccc1cc2)N)CCC3NS(=O)(=O)c5sc4cccnc4c5 | InChi: | InChI=1S/C21H19N5O3S2/c22-20-15-10-13(3-4-14(15)5-8-24-20)12-26-9-6-16(21(26)27)25-31(28,29)19-11-17-18(30-19)2-1-7-23-17/h1-5,7-8,10-11,16,25H,6,9,12H2,(H2,22,24)/t16-/m0/s1 | 別名: | RPR208815 | 定義日: | 2000-05-22 | 最終更新日: | 2021-03-01 | 識別子(ID): | N-{(3S)-1-[(1-aminoisoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl}thieno[3,2-b]pyridine-2-sulfonamide |
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![OOC OOC](https://data.pdbj.org/pdbjplus/data/cc/svg/OOC.svg) | OOC | 表記: | octyl 4-O-beta-D-allopyranosyl-1-thio-beta-D-altropyranoside | 組成式: | C20 H38 O10 S | SMILES: | S(CCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO | InChi: | InChI=1S/C20H38O10S/c1-2-3-4-5-6-7-8-31-20-17(27)15(25)18(12(10-22)29-20)30-19-16(26)14(24)13(23)11(9-21)28-19/h11-27H,2-10H2,1H3/t11-,12-,13-,14-,15+,16-,17+,18-,19+,20+/m1/s1 | 別名: | N-BETA-OCTYL-THIO-MALTOSIDE | 定義日: | 2014-04-16 | 最終更新日: | 2021-03-01 | 公開日: | 2014-12-17 | 識別子(ID): | octyl 4-O-beta-D-allopyranosyl-1-thio-beta-D-altropyranoside |
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![81Y 81Y](https://data.pdbj.org/pdbjplus/data/cc/svg/81Y.svg) | 81Y | 表記: | 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole | 組成式: | C19 H22 N4 O2 | SMILES: | CC(C)Oc1cc2c(cc1)nnc2c3ccnc(c3)N4CCOCC4 | InChi: | InChI=1S/C19H22N4O2/c1-13(2)25-15-3-4-17-16(12-15)19(22-21-17)14-5-6-20-18(11-14)23-7-9-24-10-8-23/h3-6,11-13H,7-10H2,1-2H3,(H,21,22) | 別名: | MLi-2 | 定義日: | 2016-12-15 | 最終更新日: | 2021-03-01 | 公開日: | 2017-03-15 | 識別子(ID): | 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole |
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![OPB OPB](https://data.pdbj.org/pdbjplus/data/cc/svg/OPB.svg) | OPB | 表記: | 4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-3,5-DIONE | 組成式: | C19 H20 N2 O3 | SMILES: | O=C2N(c1ccc(O)cc1)N(C(=O)C2CCCC)c3ccccc3 | InChi: | InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3/t17-/m0/s1 | 別名: | OXYPHENBUTAZONE | 定義日: | 2003-08-19 | 最終更新日: | 2021-03-01 | 識別子(ID): | (4S)-4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione |
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![OPC OPC](https://data.pdbj.org/pdbjplus/data/cc/svg/OPC.svg) | OPC | 表記: | (7R,17E)-4-HYDROXY-N,N,N,7-TETRAMETHYL-7-[(8E)-OCTADEC-8-ENOYLOXY]-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-17-EN-1-AMINIUM 4-OXIDE | 組成式: | C45 H87 N O8 P | SMILES: | O=C(OC(COP(=O)(OCC[N+](C)(C)C)O)(C)COC(=O)CCCCCCC=C/CCCCCCCCC)CCCCCC/C=C/CCCCCCCCC | InChi: | InChI=1S/C45H86NO8P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-43(47)51-41-45(3,42-53-55(49,50)52-40-39-46(4,5)6)54-44(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h23-26H,7-22,27-42H2,1-6H3/p+1/b25-23-,26-24+/t45-/m1/s1 | 別名: | DIOLEOYL-PHOSPHATIDYLCHOLINE | 定義日: | 2003-10-02 | 最終更新日: | 2021-03-01 | 識別子(ID): | (4S,7R,17Z)-4-hydroxy-N,N,N,7-tetramethyl-7-[(8E)-octadec-8-enoyloxy]-10-oxo-3,5,9-trioxa-4-phosphaheptacos-17-en-1-aminium 4-oxide |
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![OPE OPE](https://data.pdbj.org/pdbjplus/data/cc/svg/OPE.svg) | OPE | 表記: | PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER | 組成式: | C2 H8 N O4 P | SMILES: | O=P(O)(O)OCCN | InChi: | InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6) | 別名: | COLAMINE PHOSPHORIC ACID | 定義日: | 1999-07-08 | 最終更新日: | 2021-03-01 | 識別子(ID): | 2-aminoethyl dihydrogen phosphate |
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![82R 82R](https://data.pdbj.org/pdbjplus/data/cc/svg/82R.svg) | 82R | 表記: | (1R,2S,4S,5'R,6R,7S,8R,9S,10R,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-10,16-diol | 組成式: | C27 H44 O4 | SMILES: | C[CH]1CC[C]2(OC1)O[CH]3C[CH]4[CH]5CC[CH]6C[CH](O)CC[C]6(C)[CH]5C[CH](O)[C]4(C)[CH]3[CH]2C | InChi: | InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,23-,24+,25+,26-,27-/m1/s1 | 別名: | rockogenin | 定義日: | 2017-03-28 | 最終更新日: | 2021-03-01 | 公開日: | 2017-06-07 | 識別子(ID): | (1~{R},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},10~{R},12~{S},13~{S},16~{S},18~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-10,16-diol |
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![843 843](https://data.pdbj.org/pdbjplus/data/cc/svg/843.svg) | 843 | 表記: | N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-O-PHOSPHONOTYROSINAMIDE | 組成式: | C30 H34 N3 O7 P | SMILES: | O=P(O)(O)Oc1ccc(cc1)CC(NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4 | InChi: | InChI=1S/C30H34N3O7P/c1-21(34)31-28(19-22-12-16-26(17-13-22)40-41(37,38)39)29(35)32-27-9-5-6-18-33(30(27)36)20-23-10-14-25(15-11-23)24-7-3-2-4-8-24/h2-4,7-8,10-17,27-28H,5-6,9,18-20H2,1H3,(H,31,34)(H,32,35)(H2,37,38,39)/t27-,28-/m0/s1 | 別名: | RU81843 | 定義日: | 2003-06-20 | 最終更新日: | 2021-03-01 | 識別子(ID): | Nalpha-acetyl-N-[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-O-phosphono-L-tyrosinamide |
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![ORI ORI](https://data.pdbj.org/pdbjplus/data/cc/svg/ORI.svg) | ORI | 表記: | 4-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid | 組成式: | C16 H12 N2 O4 S | SMILES: | O=S(=O)(O)c3ccc(/N=N/c2c1ccccc1c(O)cc2)cc3 | InChi: | InChI=1S/C16H12N2O4S/c19-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)23(20,21)22/h1-10,19H,(H,20,21,22)/b18-17+ | 別名: | Orange I | 定義日: | 2013-03-12 | 最終更新日: | 2021-03-01 | 公開日: | 2014-02-12 | 識別子(ID): | 4-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid |
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![852 852](https://data.pdbj.org/pdbjplus/data/cc/svg/852.svg) | 852 | 表記: | 2-{4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-CARBOXY-PHENYL}-MALONIC ACID | 組成式: | C34 H35 N3 O9 | SMILES: | O=C(O)C(C(=O)O)c1c(C(=O)O)cc(cc1)CC(NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4 | InChi: | InChI=1S/C34H35N3O9/c1-20(38)35-28(18-22-12-15-25(26(17-22)32(41)42)29(33(43)44)34(45)46)30(39)36-27-9-5-6-16-37(31(27)40)19-21-10-13-24(14-11-21)23-7-3-2-4-8-23/h2-4,7-8,10-15,17,27-29H,5-6,9,16,18-19H2,1H3,(H,35,38)(H,36,39)(H,41,42)(H,43,44)(H,45,46)/t27-,28-/m0/s1 | 別名: | RU85052 | 定義日: | 2003-06-20 | 最終更新日: | 2021-03-01 | 識別子(ID): | {4-[(2S)-2-(acetylamino)-3-{[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]amino}-3-oxopropyl]-2-carboxyphenyl}propanedioic acid |
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![85X 85X](https://data.pdbj.org/pdbjplus/data/cc/svg/85X.svg) | 85X | 表記: | 12-(2-Cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole | 組成式: | C24 H18 N4 O | SMILES: | Cn1c2ccccc2c3c1c4n(CCC#N)c5ccccc5c4c6CNC(=O)c36 | InChi: | InChI=1S/C24H18N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,12-13H2,1H3,(H,26,29) | 別名: | Go 6976 | 定義日: | 2017-04-21 | 最終更新日: | 2021-03-01 | 公開日: | 2017-10-11 |
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![OTP OTP](https://data.pdbj.org/pdbjplus/data/cc/svg/OTP.svg) | OTP | 表記: | (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE | 組成式: | C40 H68 O7 P2 | SMILES: | O=P(O)(O)OP(=O)(O)OC/C=C(/CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C)C | InChi: | InChI=1S/C40H68O7P2/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-46-49(44,45)47-48(41,42)43/h17,19,21,23,25,27,29,31H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,44,45)(H2,41,42,43)/b34-19+,35-21+,36-23+,37-25+,38-27+,39-29+,40-31+ | 別名: | OCTAPRENYL PYROPHOSPHATE | 定義日: | 2004-12-06 | 最終更新日: | 2021-03-01 | 識別子(ID): | (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate |
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![OTR OTR](https://data.pdbj.org/pdbjplus/data/cc/svg/OTR.svg) | OTR | 表記: | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | 組成式: | C8 H11 N O2 | SMILES: | OC(c1ccc(O)cc1)CN | InChi: | InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/t8-/m0/s1 | 別名: | R-OCTOPAMINE | 定義日: | 2003-11-12 | 最終更新日: | 2021-03-01 | 識別子(ID): | 4-[(1R)-2-amino-1-hydroxyethyl]phenol |
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![OTS OTS](https://data.pdbj.org/pdbjplus/data/cc/svg/OTS.svg) | OTS | 表記: | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | 組成式: | C8 H11 N O2 | SMILES: | OC(c1ccc(O)cc1)CN | InChi: | InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/t8-/m1/s1 | 別名: | S-OCTOPAMINE | 定義日: | 2003-11-12 | 最終更新日: | 2021-03-01 | 識別子(ID): | 4-[(1S)-2-amino-1-hydroxyethyl]phenol |
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![881 881](https://data.pdbj.org/pdbjplus/data/cc/svg/881.svg) | 881 | 表記: | N',N''-{furan-2,5-diylbis[3-(piperidin-4-yloxy)benzene-4,1-diyl]}dipyridine-2-carboximidamide | 組成式: | C38 H40 N8 O3 | SMILES: | n1ccccc1/C(=N/c7ccc(c5oc(c4c(OC2CCNCC2)cc(N=C(c3ncccc3)N)cc4)cc5)c(OC6CCNCC6)c7)N | InChi: | InChI=1S/C38H40N8O3/c39-37(31-5-1-3-17-43-31)45-25-7-9-29(35(23-25)47-27-13-19-41-20-14-27)33-11-12-34(49-33)30-10-8-26(46-38(40)32-6-2-4-18-44-32)24-36(30)48-28-15-21-42-22-16-28/h1-12,17-18,23-24,27-28,41-42H,13-16,19-22H2,(H2,39,45)(H2,40,46) | 別名: | DB1880 | 定義日: | 2010-08-24 | 最終更新日: | 2021-03-01 | 識別子(ID): | N',N''-{furan-2,5-diylbis[3-(piperidin-4-yloxy)benzene-4,1-diyl]}dipyridine-2-carboximidamide |
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![OVE OVE](https://data.pdbj.org/pdbjplus/data/cc/svg/OVE.svg) | OVE | 表記: | 2'-O-(sulfidophosphinato)adenosine | 組成式: | C10 H14 N5 O6 P S | SMILES: | [O-]P([S-])(=O)OC3C(O)C(OC3n2cnc1c(ncnc12)N)CO | InChi: | InChI=1S/C10H14N5O6PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(21-22(18,19)23)6(17)4(1-16)20-10/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,23)/p-2/t4-,6-,7-,10-/m1/s1 | 別名: | ADENOSINE-2'-MONOPHOSPHOROTHIOATE | 定義日: | 2012-10-29 | 最終更新日: | 2021-03-01 | 公開日: | 2013-07-10 | 識別子(ID): | 2'-O-(sulfidophosphinato)adenosine |
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![8BD 8BD](https://data.pdbj.org/pdbjplus/data/cc/svg/8BD.svg) | 8BD | 表記: | 3-({[(1Z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid | 組成式: | C11 H13 N O4 | SMILES: | O=C(O)CCON=C/c1ccccc1OC | InChi: | InChI=1S/C11H13NO4/c1-15-10-5-3-2-4-9(10)8-12-16-7-6-11(13)14/h2-5,8H,6-7H2,1H3,(H,13,14)/b12-8- | 別名: | (E)-3-(2-methoxybenzylideneaminooxy)propanoic acid | 定義日: | 2009-04-06 | 最終更新日: | 2021-03-01 | 識別子(ID): | 3-({[(1Z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid |
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![760 760](https://data.pdbj.org/pdbjplus/data/cc/svg/760.svg) | 760 | 表記: | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE | 組成式: | C20 H20 N2 | SMILES: | n1c4c(c(c2c1cccc2)NCc3ccccc3)CCCC4 | InChi: | InChI=1S/C20H20N2/c1-2-8-15(9-3-1)14-21-20-16-10-4-6-12-18(16)22-19-13-7-5-11-17(19)20/h1-4,6,8-10,12H,5,7,11,13-14H2,(H,21,22) | 別名: | 9-N-PHENYLMETHYLAMINO-TACRINE | 定義日: | 1999-12-20 | 最終更新日: | 2021-03-01 | 識別子(ID): | N-benzyl-1,2,3,4-tetrahydroacridin-9-amine |
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![76R 76R](https://data.pdbj.org/pdbjplus/data/cc/svg/76R.svg) | 76R | 表記: | [3,3',3'',3'''-(3,8,13,17-tetramethylporphyrin-2,7,12,18-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~)tetra(propanoato)(2-)]manganese | 組成式: | C36 H36 Mn N4 O8 | SMILES: | OC(=O)CCC1=C(C)C=3N2=C1C=C8N7[Mn]25n4c(C=3)c(CCC(O)=O)c(C)c4C=C6N5=C(C(=C6CCC(=O)O)C)C=C7C(=C8CCC(O)=O)C | InChi: | InChI=1S/C36H38N4O8.Mn/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29 | 別名: | Manganese-Coproporphyrin III | 定義日: | 2016-09-07 | 最終更新日: | 2021-03-01 | 公開日: | 2017-01-18 | 識別子(ID): | [3,3',3'',3'''-(3,8,13,17-tetramethylporphyrin-2,7,12,18-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~)tetra(propanoato)(2-)]manganese |
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![773 773](https://data.pdbj.org/pdbjplus/data/cc/svg/773.svg) | 773 | 表記: | CETHROMYCIN | 組成式: | C42 H59 N3 O10 | SMILES: | O=C4C(C(OC1OC(CC(N(C)C)C1O)C)C(OCC=Cc2cc3ccccc3nc2)(C)CC(C(=O)C(C)C5NC(=O)OC5(C)C(OC(=O)C4C)CC)C)C | InChi: | InChI=1S/C42H59N3O10/c1-11-32-42(8)36(44-40(50)55-42)25(4)33(46)23(2)21-41(7,51-18-14-15-28-20-29-16-12-13-17-30(29)43-22-28)37(26(5)34(47)27(6)38(49)53-32)54-39-35(48)31(45(9)10)19-24(3)52-39/h12-17,20,22-27,31-32,35-37,39,48H,11,18-19,21H2,1-10H3,(H,44,50)/b15-14+/t23-,24-,25+,26+,27-,31+,32-,35-,36-,37-,39+,41-,42-/m1/s1 | 別名: | ABT-773 | 定義日: | 2003-02-10 | 最終更新日: | 2021-03-01 | 識別子(ID): | (3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-4-ethyl-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxo-11-{[(2E)-3-quinolin-3-ylprop-2-en-1-yl]oxy}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside |
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![777 777](https://data.pdbj.org/pdbjplus/data/cc/svg/777.svg) | 777 | 表記: | [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-ethyl-phosphonamidic acid | 組成式: | C12 H19 N6 O7 P | SMILES: | CCN[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)N=C(N)Nc23 | InChi: | InChI=1S/C12H19N6O7P/c1-2-15-26(22,23)24-3-5-7(19)8(20)11(25-5)18-4-14-6-9(18)16-12(13)17-10(6)21/h4-5,7-8,11,19-20H,2-3H2,1H3,(H2,15,22,23)(H3,13,16,17,21)/t5-,7-,8-,11-/m1/s1 | 別名: | D-Trp-G | 定義日: | 2016-06-28 | 最終更新日: | 2021-03-01 | 公開日: | 2017-06-28 | 識別子(ID): | [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-ethyl-phosphonamidic acid |
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![780 780](https://data.pdbj.org/pdbjplus/data/cc/svg/780.svg) | 780 | 表記: | 3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE | 組成式: | C20 H16 N4 O | SMILES: | [O-]c4c(c1ccccc1)cccc4c3nc2cc(ccc2n3)C(=[NH2+])N | InChi: | InChI=1S/C20H16N4O/c21-19(22)13-9-10-16-17(11-13)24-20(23-16)15-8-4-7-14(18(15)25)12-5-2-1-3-6-12/h1-11,25H,(H3,21,22)(H,23,24) | 別名: | CRA_7806 | 定義日: | 2003-03-14 | 最終更新日: | 2021-03-01 | 識別子(ID): | 3-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}biphenyl-2-olate |
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![785 785](https://data.pdbj.org/pdbjplus/data/cc/svg/785.svg) | 785 | 表記: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE | 組成式: | C15 H11 F3 N4 O2 | SMILES: | FC(F)(F)Oc3cc(c2nc1cc(ccc1n2)C(=[NH2+])N)c([O-])cc3 | InChi: | InChI=1S/C15H11F3N4O2/c16-15(17,18)24-8-2-4-12(23)9(6-8)14-21-10-3-1-7(13(19)20)5-11(10)22-14/h1-6,23H,(H3,19,20)(H,21,22) | 別名: | CRA_9785 | 定義日: | 2003-03-14 | 最終更新日: | 2021-03-01 | 識別子(ID): | 2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-4-(trifluoromethoxy)phenolate |
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![P12 P12](https://data.pdbj.org/pdbjplus/data/cc/svg/P12.svg) | P12 | 表記: | 4-[AMINO(IMINO)METHYL]-1-[2-(3-AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN-1-IUM | 組成式: | C16 H29 N5 O2 | SMILES: | [N@H]=C(N)N2CC[NH+](Cc1cc(OC)ccc1OCCC[NH3+])CC2 | InChi: | InChI=1S/C16H27N5O2/c1-22-14-3-4-15(23-10-2-5-17)13(11-14)12-20-6-8-21(9-7-20)16(18)19/h3-4,11H,2,5-10,12,17H2,1H3,(H3,18,19)/p+2 | 別名: | RBT205 INHIBITOR | 定義日: | 2003-12-19 | 最終更新日: | 2021-03-01 | 識別子(ID): | 1-[2-(3-ammoniopropoxy)-5-methoxybenzyl]-4-carbamimidoylpiperazin-1-ium |
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