![5NG 5NG](https://data.pdbj.org/pdbjplus/data/cc/svg/5NG.svg) | 5NG | 表記: | [[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[3-[2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate | 組成式: | C42 H70 N14 O32 P6 S2 | SMILES: | CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O[P](O)(O)=O)n5cnc6c(N)ncnc56 | InChi: | InChI=1S/C42H70N14O32P6S2/c1-41(2,15-81-93(75,76)87-91(71,72)79-13-21-29(85-89(65,66)67)27(59)39(83-21)55-19-53-25-33(43)49-17-51-35(25)55)31(61)37(63)47-7-5-23(57)45-9-11-95-96-12-10-46-24(58)6-8-48-38(64)32(62)42(3,4)16-82-94(77,78)88-92(73,74)80-14-22-30(86-90(68,69)70)28(60)40(84-22)56-20-54-26-34(44)50-18-52-36(26)56/h17-22,27-32,39-40,59-62H,5-16H2,1-4H3,(H,45,57)(H,46,58)(H,47,63)(H,48,64)(H,71,72)(H,73,74)(H,75,76)(H,77,78)(H2,43,49,51)(H2,44,50,52)(H2,65,66,67)(H2,68,69,70)/t21-,22?,27-,28-,29-,30?,31+,32+,39-,40-/m1/s1 | 別名: | CoA-disulfide | 定義日: | 2015-10-27 | 最終更新日: | 2021-03-01 | 公開日: | 2016-11-09 | 識別子(ID): | [[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[3-[2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate |
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![T5C T5C](https://data.pdbj.org/pdbjplus/data/cc/svg/T5C.svg) | T5C | 表記: | 2-{(1E,3Z,5E,7E)-7-[3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-1,3-DIHYDRO-2H-INDOL-2-YLIDENE]-4-METHYLHEPTA-1,3,5-TRIEN-1-YL}-3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-3H-INDOLIUM | 組成式: | C32 H39 N2 O12 S4 | SMILES: | O=S(=O)(O)CC[N+]=2c1ccc(cc1C(C=2C=CC=C(C=CC=C4N(c3ccc(cc3C4(C)C)S(=O)(=O)O)CCS(=O)(=O)O)C)(C)C)S(=O)(=O)O | InChi: | InChI=1S/C32H38N2O12S4/c1-22(8-6-10-29-31(2,3)25-20-23(49(41,42)43)12-14-27(25)33(29)16-18-47(35,36)37)9-7-11-30-32(4,5)26-21-24(50(44,45)46)13-15-28(26)34(30)17-19-48(38,39)40/h6-15,20-21H,16-19H2,1-5H3,(H3-,35,36,37,38,39,40,41,42,43,44,45,46)/p+1 | 別名: | TETRASULFOCYANINE | 定義日: | 2006-12-03 | 最終更新日: | 2021-03-01 | 識別子(ID): | 2-{(1E,3E,5E,7E)-7-[3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-1,3-dihydro-2H-indol-2-ylidene]-4-methylhepta-1,3,5-trien-1-yl}-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-3H-indolium |
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![SQD SQD](https://data.pdbj.org/pdbjplus/data/cc/svg/SQD.svg) | SQD | 表記: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL | 組成式: | C41 H78 O12 S | SMILES: | O=S(=O)(O)CC1OC(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)C(O)C(O)C1O | InChi: | InChI=1S/C41H78O12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(42)50-31-34(32-51-41-40(46)39(45)38(44)35(53-41)33-54(47,48)49)52-37(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,38-41,44-46H,3-33H2,1-2H3,(H,47,48,49)/t34-,35-,38-,39+,40-,41+/m1/s1 | 別名: | SULFOQUINOVOSYLDIACYLGLYCEROL | 定義日: | 2003-11-03 | 最終更新日: | 2021-03-01 | 識別子(ID): | (2S)-2,3-bis(hexadecanoyloxy)propyl 6-deoxy-6-sulfo-alpha-D-glucopyranoside |
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![V6D V6D](https://data.pdbj.org/pdbjplus/data/cc/svg/V6D.svg) | V6D | 表記: | (3S,6Z,8E,11S,15R)-15-amino-3-[(1E,3E,5E)-7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11-dimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione | 組成式: | C30 H43 N3 O4 S | SMILES: | C1(=CC=CC(=O)OC(Cc2scc(CCC(N)CC(=O)OC(C1)C)n2)[C@H]=C(C)C=[C@H]C(C)=[C@H]CN(C)C)C | InChi: | InChI=1S/C30H43N3O4S/c1-21(14-15-33(5)6)10-11-23(3)17-27-19-28-32-26(20-38-28)13-12-25(31)18-30(35)36-24(4)16-22(2)8-7-9-29(34)37-27/h7-11,14,17,20,24-25,27H,12-13,15-16,18-19,31H2,1-6H3/b9-7-,11-10+,21-14+,22-8+,23-17+/t24-,25+,27+/m0/s1 | 別名: | des-methyl Pateamine A | 定義日: | 2020-07-07 | 最終更新日: | 2021-03-01 | 公開日: | 2021-01-06 | 識別子(ID): | (3S,6Z,8E,11S,15R)-15-amino-3-[(1E,3E,5E)-7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11-dimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione |
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![5NM 5NM](https://data.pdbj.org/pdbjplus/data/cc/svg/5NM.svg) | 5NM | 表記: | 3-[[5-bromanyl-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-imidazo[4,5-c]pyridin-2-one | 組成式: | C21 H22 Br N5 O3 S | SMILES: | C[S](=O)(=O)CCCn1c(CN2C(=O)N(C3CC3)c4ccncc24)nc5cc(Br)ccc15 | InChi: | InChI=1S/C21H22BrN5O3S/c1-31(29,30)10-2-9-25-17-6-3-14(22)11-16(17)24-20(25)13-26-19-12-23-8-7-18(19)27(21(26)28)15-4-5-15/h3,6-8,11-12,15H,2,4-5,9-10,13H2,1H3 | 別名: | JNJ-49153390 | 定義日: | 2015-10-27 | 最終更新日: | 2021-03-01 | 公開日: | 2015-12-09 | 識別子(ID): | 3-[[5-bromanyl-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-imidazo[4,5-c]pyridin-2-one |
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![T5F T5F](https://data.pdbj.org/pdbjplus/data/cc/svg/T5F.svg) | T5F | 表記: | (2~{S})-2-[[(2~{S})-1-(1-adamantylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]sulfamoylamino]-6-azanyl-hexanoic acid | 組成式: | C25 H44 N4 O5 S | SMILES: | NCCCC[CH](N[S](=O)(=O)N[CH](CC1CCCCC1)C(=O)NC23CC4CC(CC(C4)C2)C3)C(O)=O | InChi: | InChI=1S/C25H44N4O5S/c26-9-5-4-8-21(24(31)32)28-35(33,34)29-22(13-17-6-2-1-3-7-17)23(30)27-25-14-18-10-19(15-25)12-20(11-18)16-25/h17-22,28-29H,1-16,26H2,(H,27,30)(H,31,32)/t18-,19+,20-,21-,22-,25-/m0/s1 | 別名: | tafCPB | 定義日: | 2016-09-28 | 最終更新日: | 2021-03-01 | 公開日: | 2016-10-26 | 識別子(ID): | (2~{S})-2-[[(2~{S})-1-(1-adamantylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]sulfamoylamino]-6-azanyl-hexanoic acid |
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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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![5NO 5NO](https://data.pdbj.org/pdbjplus/data/cc/svg/5NO.svg) | 5NO | 表記: | 1-cyclopropyl-3-[[1-(4-oxidanylbutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one | 組成式: | C21 H23 N5 O2 | SMILES: | OCCCCn1c(CN2C(=O)N(C3CC3)c4ccncc24)nc5ccccc15 | InChi: | InChI=1S/C21H23N5O2/c27-12-4-3-11-24-17-6-2-1-5-16(17)23-20(24)14-25-19-13-22-10-9-18(19)26(21(25)28)15-7-8-15/h1-2,5-6,9-10,13,15,27H,3-4,7-8,11-12,14H2 | 別名: | BMS-433771 | 定義日: | 2015-10-27 | 最終更新日: | 2021-03-01 | 公開日: | 2015-12-09 | 識別子(ID): | 1-cyclopropyl-3-[[1-(4-oxidanylbutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one |
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![R47 R47](https://data.pdbj.org/pdbjplus/data/cc/svg/R47.svg) | R47 | 表記: | N-[(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-alpha-glutamyl-L-alpha-glutamine | 組成式: | C35 H35 Br Cl N4 O10 P | SMILES: | O=C(O)CCC(C(=O)N)NC(=O)C(NC(=O)C(CP(=O)(O)c1ccc(Br)cc1)Cc4onc(c3ccc(c2cccc(Cl)c2)cc3)c4)CCC(=O)O | InChi: | InChI=1S/C35H35BrClN4O10P/c36-24-8-10-27(11-9-24)52(49,50)19-23(34(47)40-29(13-15-32(44)45)35(48)39-28(33(38)46)12-14-31(42)43)17-26-18-30(41-51-26)21-6-4-20(5-7-21)22-2-1-3-25(37)16-22/h1-11,16,18,23,28-29H,12-15,17,19H2,(H2,38,46)(H,39,48)(H,40,47)(H,42,43)(H,44,45)(H,49,50)/t23-,28+,29+/m1/s1 | 別名: | RXP470.1 | 定義日: | 2012-09-14 | 最終更新日: | 2021-03-01 | 公開日: | 2013-02-01 | 識別子(ID): | N-[(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-alpha-glutamyl-L-alpha-glutamine |
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![R48 R48](https://data.pdbj.org/pdbjplus/data/cc/svg/R48.svg) | R48 | 表記: | 1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea | 組成式: | C29 H30 N8 O | SMILES: | O=C(Nc3cccc(Nc2ncnc1c2cc(N)cc1)c3)Nc5cc(nn5c4ccc(cc4)C)C(C)(C)C | InChi: | InChI=1S/C29H30N8O/c1-18-8-11-22(12-9-18)37-26(16-25(36-37)29(2,3)4)35-28(38)34-21-7-5-6-20(15-21)33-27-23-14-19(30)10-13-24(23)31-17-32-27/h5-17H,30H2,1-4H3,(H,31,32,33)(H2,34,35,38) | 別名: | 1-(3-(6-aminoquinazolin-4-ylamino)phenyl)-3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)urea | 定義日: | 2009-03-06 | 最終更新日: | 2021-03-01 | 識別子(ID): | 1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea |
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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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![SQL SQL](https://data.pdbj.org/pdbjplus/data/cc/svg/SQL.svg) | SQL | 表記: | (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene | 組成式: | C30 H50 | SMILES: | C(=C/CC/C(=C/CCC(=C/CCC=C(/C)CCC=C(/C)CCC=C(/C)C)/C)C)(C)C | InChi: | InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+ | 別名: | squalene | 定義日: | 2012-06-07 | 最終更新日: | 2021-03-01 | 公開日: | 2013-05-15 | 識別子(ID): | (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene |
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![WJP WJP](https://data.pdbj.org/pdbjplus/data/cc/svg/WJP.svg) | WJP | 表記: | methyl (3R,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-yl dihydrogen diphosphate | 組成式: | C26 H48 O7 P2 | SMILES: | CC(CC[C@H]=C(CCC=C(/C)CCC=C(CC[C@H]=C(C)C)C)C)CCOP(=O)(O)OP(OC)(=O)O | InChi: | InChI=1S/C26H48O7P2/c1-22(2)12-8-13-23(3)14-9-15-24(4)16-10-17-25(5)18-11-19-26(6)20-21-32-35(29,30)33-34(27,28)31-7/h12,14,16,18,26H,8-11,13,15,17,19-21H2,1-7H3,(H,27,28)(H,29,30)/b23-14+,24-16+,25-18-/t26-/m1/s1 | 別名: | dolichol-pp | 定義日: | 2020-10-30 | 最終更新日: | 2021-03-01 | 公開日: | 2020-11-11 | 識別子(ID): | methyl (3R,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-yl dihydrogen diphosphate |
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![T5O T5O](https://data.pdbj.org/pdbjplus/data/cc/svg/T5O.svg) | T5O | 表記: | 2'-deoxy-5-methoxyuridine 5'-(dihydrogen phosphate) | 組成式: | C10 H15 N2 O9 P | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C(OC)=C1)CC2O | InChi: | InChI=1S/C10H15N2O9P/c1-19-6-3-12(10(15)11-9(6)14)8-2-5(13)7(21-8)4-20-22(16,17)18/h3,5,7-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t5-,7+,8+/m0/s1 | 別名: | 5-methoxy-2'-deoxyuridine-5'-phosphate | 定義日: | 2009-08-05 | 最終更新日: | 2021-03-01 | 識別子(ID): | 2'-deoxy-5-methoxyuridine 5'-(dihydrogen phosphate) |
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![ZZ8 ZZ8](https://data.pdbj.org/pdbjplus/data/cc/svg/ZZ8.svg) | ZZ8 | 表記: | 2-(ACETYLAMINO)BENZOIC ACID | 組成式: | C9 H9 N O3 | SMILES: | O=C(Nc1ccccc1C(=O)O)C | InChi: | InChI=1S/C9H9NO3/c1-6(11)10-8-5-3-2-4-7(8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13) | 別名: | N-ACETYLANTHRANILATE | 定義日: | 2009-05-22 | 最終更新日: | 2021-03-01 | 識別子(ID): | 2-(acetylamino)benzoic acid |
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![5O2 5O2](https://data.pdbj.org/pdbjplus/data/cc/svg/5O2.svg) | 5O2 | 表記: | 6-phenyl-5-[5-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine | 組成式: | C41 H43 N8 | SMILES: | Nc1ccc2c3ccc(N)cc3[n+](CCCCCc4cn(CCNc5c6CCCCc6nc7ccccc57)nn4)c(c8ccccc8)c2c1 | InChi: | InChI=1S/C41H42N8/c42-29-18-20-32-33-21-19-30(43)26-39(33)49(41(36(32)25-29)28-11-3-1-4-12-28)23-10-2-5-13-31-27-48(47-46-31)24-22-44-40-34-14-6-8-16-37(34)45-38-17-9-7-15-35(38)40/h1,3-4,6,8,11-12,14,16,18-21,25-27,43H,2,5,7,9-10,13,15,17,22-24,42H2,(H,44,45)/p+1 | 別名: | anti TZ2PA5 | 定義日: | 2015-10-29 | 最終更新日: | 2021-03-01 | 公開日: | 2016-01-20 | 識別子(ID): | 6-phenyl-5-[5-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine |
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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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![WJZ WJZ](https://data.pdbj.org/pdbjplus/data/cc/svg/WJZ.svg) | WJZ | 表記: | TIOPRONIN | 組成式: | C5 H9 N O3 S | SMILES: | C[CH](S)C(=O)NCC(O)=O | InChi: | InChI=1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8)/t3-/m0/s1 | 別名: | THIOLA | 定義日: | 2015-06-25 | 最終更新日: | 2021-03-01 | 公開日: | 2015-07-07 | 識別子(ID): | 2-[[(2S)-2-sulfanylpropanoyl]amino]ethanoic acid |
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![RIM RIM](https://data.pdbj.org/pdbjplus/data/cc/svg/RIM.svg) | RIM | 表記: | RIMANTADINE | 組成式: | C12 H21 N | SMILES: | NC(C)C13CC2CC(CC(C1)C2)C3 | InChi: | InChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3/t8-,9-,10+,11-,12-/m1/s1 | 別名: | 1-(1-ADAMANTYL)ETHANAMINE | 定義日: | 2007-07-19 | 最終更新日: | 2021-03-01 | 識別子(ID): | (1R)-1-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]ethanamine |
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![UDX UDX](https://data.pdbj.org/pdbjplus/data/cc/svg/UDX.svg) | UDX | 表記: | URIDINE-5'-DIPHOSPHATE-XYLOPYRANOSE | 組成式: | C14 H22 N2 O16 P2 | SMILES: | O=P(OC1OCC(O)C(O)C1O)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O | InChi: | InChI=1S/C14H22N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,5-6,8-13,17,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t5-,6-,8+,9-,10-,11-,12-,13-/m1/s1 | 別名: | UDP-ALPHA-D-XYLOPYRANOSE | 定義日: | 1999-12-13 | 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,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) |
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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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![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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![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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![SC5 SC5](https://data.pdbj.org/pdbjplus/data/cc/svg/SC5.svg) | SC5 | 表記: | 2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-1,1-DIOL | 組成式: | C18 H26 N4 O2 | SMILES: | OC(O)CNC(Nc1ccc(cc1)CN)NC(c2ccccc2)C | InChi: | InChI=1S/C18H26N4O2/c1-13(15-5-3-2-4-6-15)21-18(20-12-17(23)24)22-16-9-7-14(11-19)8-10-16/h2-10,13,17-18,20-24H,11-12,19H2,1H3/t13-,18-/m1/s1 | 別名: | SC45647 | 定義日: | 2005-06-21 | 最終更新日: | 2021-03-01 | 識別子(ID): | 2-{[(R)-{[4-(aminomethyl)phenyl]amino}{[(1R)-1-phenylethyl]amino}methyl]amino}ethane-1,1-diol |
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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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