![A1IG2 A1IG2](https://data.pdbj.org/pdbjplus/data/cc/svg/A1IG2.svg) | A1IG2 | 表記: | Bomedemstat FAD adduct | 組成式: | C36 H42 F N9 O16 P2 | SMILES: | Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6=NC(=O)NC(=O)[C]67[CH](C[CH](O)N7c2cc1C)c8ccc(F)cc8 | InChi: | InChI=1S/C36H42FN9O16P2/c1-15-7-20-21(8-16(15)2)46-25(49)9-19(17-3-5-18(37)6-4-17)36(46)33(42-35(54)43-34(36)53)44(20)10-22(47)27(50)23(48)11-59-63(55,56)62-64(57,58)60-12-24-28(51)29(52)32(61-24)45-14-41-26-30(38)39-13-40-31(26)45/h3-8,13-14,19,22-25,27-29,32,47-52H,9-12H2,1-2H3,(H,55,56)(H,57,58)(H2,38,39,40)(H,43,53,54)/t19-,22+,23-,24-,25-,27+,28-,29-,32-,36+/m1/s1 | 定義日: | 2024-07-02 | 最終更新日: | 2024-07-05 | 公開日: | 2024-07-10 |
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![A1IG7 A1IG7](https://data.pdbj.org/pdbjplus/data/cc/svg/A1IG7.svg) | A1IG7 | 表記: | (5~{S})-5-methylpyrrolidin-2-one | 組成式: | C5 H9 N O | SMILES: | C[CH]1CCC(=O)N1 | InChi: | InChI=1S/C5H9NO/c1-4-2-3-5(7)6-4/h4H,2-3H2,1H3,(H,6,7)/t4-/m0/s1 | 定義日: | 2024-07-03 | 最終更新日: | 2024-07-05 | 公開日: | 2024-07-10 | 識別子(ID): | (5~{S})-5-methylpyrrolidin-2-one |
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![A1L1V A1L1V](https://data.pdbj.org/pdbjplus/data/cc/svg/A1L1V.svg) | A1L1V | 表記: | (2~{S})-2-(4',5-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethanoic acid | 組成式: | C22 H32 O3 | SMILES: | C[CH]1CC[C]2(CC1)CCc3ccc(C)c([CH](OC(C)(C)C)C(O)=O)c23 | InChi: | InChI=1S/C22H32O3/c1-14-8-11-22(12-9-14)13-10-16-7-6-15(2)17(18(16)22)19(20(23)24)25-21(3,4)5/h6-7,14,19H,8-13H2,1-5H3,(H,23,24)/t14-,19?,22- | 定義日: | 2024-05-21 | 最終更新日: | 2024-07-05 | 公開日: | 2024-07-10 | 識別子(ID): | (2~{S})-2-(4',5-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethanoic acid |
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![A1L1W A1L1W](https://data.pdbj.org/pdbjplus/data/cc/svg/A1L1W.svg) | A1L1W | 表記: | (2~{S})-2-[7-(cycloheptylcarbamoyl)-4',5-dimethyl-spiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid | 組成式: | C30 H45 N O4 | SMILES: | C[CH]1CC[C]2(CC1)CCc3c(cc(C)c([CH](OC(C)(C)C)C(O)=O)c23)C(=O)NC4CCCCCC4 | InChi: | InChI=1S/C30H45NO4/c1-19-12-15-30(16-13-19)17-14-22-23(27(32)31-21-10-8-6-7-9-11-21)18-20(2)24(25(22)30)26(28(33)34)35-29(3,4)5/h18-19,21,26H,6-17H2,1-5H3,(H,31,32)(H,33,34)/t19-,26?,30- | 定義日: | 2024-05-21 | 最終更新日: | 2024-07-05 | 公開日: | 2024-07-10 | 識別子(ID): | (2~{S})-2-[7-(cycloheptylcarbamoyl)-4',5-dimethyl-spiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid |
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![A1LXA A1LXA](https://data.pdbj.org/pdbjplus/data/cc/svg/A1LXA.svg) | A1LXA | 表記: | L-2-keto-3-deoxyfuconate | 組成式: | C6 H10 O5 | SMILES: | C[CH]1O[C](O)(C[CH]1O)C(O)=O | InChi: | InChI=1S/C6H10O5/c1-3-4(7)2-6(10,11-3)5(8)9/h3-4,7,10H,2H2,1H3,(H,8,9)/t3-,4-,6-/m0/s1 | 別名: | (2~{S},4~{S},5~{S})-5-methyl-2,4-bis(oxidanyl)oxolane-2-carboxylic acid | 定義日: | 2024-01-31 | 最終更新日: | 2024-07-05 | 公開日: | 2024-07-10 | 識別子(ID): | (2~{S},4~{S},5~{S})-5-methyl-2,4-bis(oxidanyl)oxolane-2-carboxylic acid |
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![A1LXB A1LXB](https://data.pdbj.org/pdbjplus/data/cc/svg/A1LXB.svg) | A1LXB | 表記: | L-2,4-diketo-3-deoxyfuconate | 組成式: | C6 H8 O5 | SMILES: | C[CH]1O[C](O)(CC1=O)C(O)=O | InChi: | InChI=1S/C6H8O5/c1-3-4(7)2-6(10,11-3)5(8)9/h3,10H,2H2,1H3,(H,8,9)/t3-,6-/m0/s1 | 別名: | (2~{S},5~{S})-5-methyl-2-oxidanyl-4-oxidanylidene-oxolane-2-carboxylic acid | 定義日: | 2024-01-31 | 最終更新日: | 2024-07-05 | 公開日: | 2024-07-10 | 識別子(ID): | (2~{S},5~{S})-5-methyl-2-oxidanyl-4-oxidanylidene-oxolane-2-carboxylic acid |
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![A1LXD A1LXD](https://data.pdbj.org/pdbjplus/data/cc/svg/A1LXD.svg) | A1LXD | 表記: | D-2-keto-3-deoxypentonate | 組成式: | C5 H8 O5 | SMILES: | O[CH]1CO[C](O)(C1)C(O)=O | InChi: | InChI=1S/C5H8O5/c6-3-1-5(9,4(7)8)10-2-3/h3,6,9H,1-2H2,(H,7,8)/t3-,5-/m0/s1 | 別名: | (2~{S},4~{S})-2,4-bis(oxidanyl)oxolane-2-carboxylic acid | 定義日: | 2024-01-31 | 最終更新日: | 2024-07-05 | 公開日: | 2024-07-10 | 識別子(ID): | (2~{S},4~{S})-2,4-bis(oxidanyl)oxolane-2-carboxylic acid |
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![SYU SYU](https://data.pdbj.org/pdbjplus/data/cc/svg/SYU.svg) | SYU | 表記: | 3-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-(hydroxymethyl)-1~{H}-imidazole-2-thione | 組成式: | C13 H10 F6 N2 O S | SMILES: | OCC1=CN(Cc2ccc(cc2C(F)(F)F)C(F)(F)F)C(=S)N1 | InChi: | InChI=1S/C13H10F6N2OS/c14-12(15,16)8-2-1-7(10(3-8)13(17,18)19)4-21-5-9(6-22)20-11(21)23/h1-3,5,22H,4,6H2,(H,20,23) | 定義日: | 2022-12-20 | 最終更新日: | 2024-07-05 | 公開日: | 2024-07-10 | 識別子(ID): | 3-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-(hydroxymethyl)-1~{H}-imidazole-2-thione |
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![SZI SZI](https://data.pdbj.org/pdbjplus/data/cc/svg/SZI.svg) | SZI | 表記: | [1-[[2,4-bis(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]sulfanylmethyl-$l^{3}-oxidanyl-bis(oxidanyl)boron | 組成式: | C17 H14 B F6 N2 O3 S | SMILES: | O[B](O)(O)CSc1nc2ccccc2n1Cc3ccc(cc3C(F)(F)F)C(F)(F)F | InChi: | InChI=1S/C17H14BF6N2O3S/c19-16(20,21)11-6-5-10(12(7-11)17(22,23)24)8-26-14-4-2-1-3-13(14)25-15(26)30-9-18(27,28)29/h1-7,27-29H,8-9H2 | 定義日: | 2022-12-20 | 最終更新日: | 2024-07-05 | 公開日: | 2024-07-10 | 識別子(ID): | [1-[[2,4-bis(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]sulfanylmethyl-tris(oxidanyl)boron |
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![U3I U3I](https://data.pdbj.org/pdbjplus/data/cc/svg/U3I.svg) | U3I | 表記: | (3S)-3-(5-{(1R)-1-[(2R)-1-ethylpiperidin-2-yl]ethoxy}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione | 組成式: | C22 H29 N3 O4 | SMILES: | CCN1CCCCC1C(C)Oc1cc2CN(C3CCC(=O)NC3=O)C(=O)c2cc1 | InChi: | InChI=1S/C22H29N3O4/c1-3-24-11-5-4-6-18(24)14(2)29-16-7-8-17-15(12-16)13-25(22(17)28)19-9-10-20(26)23-21(19)27/h7-8,12,14,18-19H,3-6,9-11,13H2,1-2H3,(H,23,26,27)/t14-,18-,19+/m1/s1 | 定義日: | 2023-08-29 | 最終更新日: | 2024-07-05 | 公開日: | 2024-07-10 | 識別子(ID): | (3S)-3-(5-{(1R)-1-[(2R)-1-ethylpiperidin-2-yl]ethoxy}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione |
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![JCV JCV](https://data.pdbj.org/pdbjplus/data/cc/svg/JCV.svg) | JCV | 表記: | [(2~{S},7~{R},11~{R},15~{S},19~{S},22~{S},26~{S},30~{R},34~{R},39~{S},43~{R},47~{R},51~{S},55~{S},58~{S},62~{S},66~{R},70~{R})-39-[[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacont-2-yl]methyl [(2~{R},3~{S},5~{R},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl] hydrogen phosphate | 組成式: | C98 H193 O19 P | SMILES: | C[CH]1CCC[CH](C)CCC[CH](C)CC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCOC[CH](CO[P](O)(=O)O[CH]2[CH](O)[CH](O)[CH](O)[CH](O)[CH]2O)OCC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCO[CH](COCC[CH](C)CCC1)CO[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O | InChi: | InChI=1S/C98H193O19P/c1-70-29-17-33-74(5)41-25-49-82(13)57-61-110-66-86(68-114-98-96(107)90(101)89(100)88(65-99)116-98)112-63-59-84(15)51-27-43-76(7)35-19-31-72(3)39-23-47-80(11)55-56-81(12)48-24-40-73(4)32-20-36-77(8)44-28-52-85(16)60-64-113-87(69-115-118(108,109)117-97-94(105)92(103)91(102)93(104)95(97)106)67-111-62-58-83(14)50-26-42-75(6)34-18-30-71(2)38-22-46-79(10)54-53-78(9)45-21-37-70/h70-107H,17-69H2,1-16H3,(H,108,109)/t70-,71-,72-,73-,74+,75+,76+,77+,78-,79-,80-,81-,82+,83+,84+,85+,86-,87-,88+,89+,90-,91-,92-,93+,94+,95+,96+,97-,98+/m0/s1 | 定義日: | 2023-08-07 | 最終更新日: | 2024-07-05 | 公開日: | 2024-07-10 | 識別子(ID): | [(2~{S},7~{R},11~{R},15~{S},19~{S},22~{S},26~{S},30~{R},34~{R},39~{S},43~{R},47~{R},51~{S},55~{S},58~{S},62~{S},66~{R},70~{R})-39-[[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacont-2-yl]methyl [(2~{R},3~{S},5~{R},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl] hydrogen phosphate |
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![F8O F8O](https://data.pdbj.org/pdbjplus/data/cc/svg/F8O.svg) | F8O | 表記: | (2~{R},4~{R})-2,4-dimethyloctanal | 組成式: | C10 H20 O2 | SMILES: | CCCC[CH](C)C[CH](C)C(O)=O | InChi: | InChI=1S/C10H20O2/c1-4-5-6-8(2)7-9(3)10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12)/t8-,9-/m1/s1 | 定義日: | 2023-07-19 | 最終更新日: | 2024-07-03 | 公開日: | 2024-05-08 | 識別子(ID): | (2~{R},4~{R})-2,4-dimethyloctanoic acid |
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![KTO KTO](https://data.pdbj.org/pdbjplus/data/cc/svg/KTO.svg) | KTO | 表記: | (2~{S})-2-azanyl-3-[(2~{R},3~{S})-2-oxidanyl-3-[[(1~{S},5~{R})-3-oxidanylidene-9-azabicyclo[3.3.1]nonan-9-yl]oxy]-1,2-dihydroindol-3-yl]propanal | 組成式: | C19 H25 N3 O5 | SMILES: | N[CH](C[C]1(ON2[CH]3CCC[CH]2CC(=O)C3)[CH](O)Nc4ccccc14)C(O)=O | InChi: | InChI=1S/C19H25N3O5/c20-15(17(24)25)10-19(14-6-1-2-7-16(14)21-18(19)26)27-22-11-4-3-5-12(22)9-13(23)8-11/h1-2,6-7,11-12,15,18,21,26H,3-5,8-10,20H2,(H,24,25)/t11-,12+,15-,18+,19-/m0/s1 | 定義日: | 2016-05-12 | 最終更新日: | 2024-07-03 | 公開日: | 2016-09-14 | 識別子(ID): | (2~{S})-2-azanyl-3-[(2~{R},3~{S})-2-oxidanyl-3-[[(1~{S},5~{R})-3-oxidanylidene-9-azabicyclo[3.3.1]nonan-9-yl]oxy]-1,2-dihydroindol-3-yl]propanoic acid |
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![ZMX ZMX](https://data.pdbj.org/pdbjplus/data/cc/svg/ZMX.svg) | ZMX | 表記: | (2M)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide | 組成式: | C28 H24 N4 O3 | SMILES: | CC=1N(C)N(c2ccccc2)C(=O)C=1NC(=O)c1ccccc1c1ncc(o1)c1ccc(C)cc1 | InChi: | InChI=1S/C28H24N4O3/c1-18-13-15-20(16-14-18)24-17-29-27(35-24)23-12-8-7-11-22(23)26(33)30-25-19(2)31(3)32(28(25)34)21-9-5-4-6-10-21/h4-17H,1-3H3,(H,30,33) | 定義日: | 2023-06-29 | 最終更新日: | 2024-06-28 | 公開日: | 2024-07-03 | 識別子(ID): | (2M)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide |
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![YJU YJU](https://data.pdbj.org/pdbjplus/data/cc/svg/YJU.svg) | YJU | 表記: | N-{2-[(1r,4r)-4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide | 組成式: | C24 H27 F3 N4 O3 | SMILES: | FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(nc2cc1C(C)(C)O)C1CCC(CO)CC1 | InChi: | InChI=1S/C24H27F3N4O3/c1-23(2,34)17-11-19-15(12-31(30-19)16-8-6-14(13-32)7-9-16)10-20(17)29-22(33)18-4-3-5-21(28-18)24(25,26)27/h3-5,10-12,14,16,32,34H,6-9,13H2,1-2H3,(H,29,33)/t14-,16- | 定義日: | 2023-12-04 | 最終更新日: | 2024-06-28 | 公開日: | 2024-07-03 | 識別子(ID): | N-{2-[(1r,4r)-4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide |
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![YK0 YK0](https://data.pdbj.org/pdbjplus/data/cc/svg/YK0.svg) | YK0 | 表記: | N-{2-[4-(hydroxymethyl)phenyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide | 組成式: | C24 H21 F3 N4 O3 | SMILES: | FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(nc2cc1C(C)(C)O)c1ccc(CO)cc1 | InChi: | InChI=1S/C24H21F3N4O3/c1-23(2,34)17-11-19-15(12-31(30-19)16-8-6-14(13-32)7-9-16)10-20(17)29-22(33)18-4-3-5-21(28-18)24(25,26)27/h3-12,32,34H,13H2,1-2H3,(H,29,33) | 定義日: | 2023-12-04 | 最終更新日: | 2024-06-28 | 公開日: | 2024-07-03 | 識別子(ID): | N-{2-[4-(hydroxymethyl)phenyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide |
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![ZO1 ZO1](https://data.pdbj.org/pdbjplus/data/cc/svg/ZO1.svg) | ZO1 | 表記: | 3-(trifluoromethyl)benzaldehyde | 組成式: | C8 H5 F3 O2 | SMILES: | FC(F)(F)c1cccc(C=O)c1 | InChi: | InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13) | 定義日: | 2021-05-12 | 最終更新日: | 2024-06-28 | 公開日: | 2022-03-02 | 識別子(ID): | 3-(trifluoromethyl)benzaldehyde |
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![ZS9 ZS9](https://data.pdbj.org/pdbjplus/data/cc/svg/ZS9.svg) | ZS9 | 表記: | dehydrocostus lactone, bound form | 組成式: | C15 H20 O2 | SMILES: | C=C1CCC2C(C)C(=O)OC2C2C1CCC2=C | InChi: | InChI=1S/C15H20O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h10-14H,1-2,4-7H2,3H3/t10-,11-,12+,13-,14+/m0/s1 | 定義日: | 2023-07-03 | 最終更新日: | 2024-06-28 | 公開日: | 2024-07-03 | 識別子(ID): | (3S,3aR,6aR,9aR,9bR)-3-methyl-6,9-dimethylidenedecahydroazuleno[4,5-b]furan-2(3H)-one |
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![ZX4 ZX4](https://data.pdbj.org/pdbjplus/data/cc/svg/ZX4.svg) | ZX4 | 表記: | 5'-S-{(2R,4R)-1-[3-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]-2-carboxypiperidin-4-yl}-5'-thioadenosine | 組成式: | C25 H32 N10 O6 S | SMILES: | O=C(O)C1CC(CCN1CCCc1c[NH]c2N=C(N)NC(=O)c21)SCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | InChi: | InChI=1S/C25H32N10O6S/c26-19-16-21(30-9-29-19)35(10-31-16)23-18(37)17(36)14(41-23)8-42-12-3-5-34(13(6-12)24(39)40)4-1-2-11-7-28-20-15(11)22(38)33-25(27)32-20/h7,9-10,12-14,17-18,23,36-37H,1-6,8H2,(H,39,40)(H2,26,29,30)(H4,27,28,32,33,38)/t12-,13-,14-,17-,18-,23-/m1/s1 | 定義日: | 2023-04-17 | 最終更新日: | 2024-06-28 | 公開日: | 2024-07-03 | 識別子(ID): | 5'-S-{(2R,4R)-1-[3-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]-2-carboxypiperidin-4-yl}-5'-thioadenosine |
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![ZXW ZXW](https://data.pdbj.org/pdbjplus/data/cc/svg/ZXW.svg) | ZXW | 表記: | 5'-O-[(S)-{[(R)-{[(R)-[(2-{[(2S)-2-amino-3-oxopropyl]amino}-2-oxoethyl)sulfanyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine | 組成式: | C15 H24 N7 O15 P3 S | SMILES: | NC(CNC(CSP(OP(OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)(=O)O)(O)=O)=O)C=O | InChi: | InChI=1S/C15H24N7O15P3S/c16-6(15(26)27)1-18-8(23)3-41-40(32,33)37-39(30,31)36-38(28,29)34-2-7-10(24)11(25)14(35-7)22-5-21-9-12(17)19-4-20-13(9)22/h4-7,10-11,14,24-25H,1-3,16H2,(H,18,23)(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H2,17,19,20)/t6-,7+,10+,11+,14+/m0/s1 | 定義日: | 2018-01-18 | 最終更新日: | 2024-06-28 | 公開日: | 2018-08-22 | 識別子(ID): | 5'-O-[(S)-{[(R)-{[(R)-[(2-{[(2S)-2-amino-3-oxopropyl]amino}-2-oxoethyl)sulfanyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine |
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![W3O W3O](https://data.pdbj.org/pdbjplus/data/cc/svg/W3O.svg) | W3O | 表記: | 1-[3-[~{tert}-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxamide | 組成式: | C15 H27 N2 O2 Si | SMILES: | O=C(N)c1ccc[n+](CCCO[Si](C)(C)C(C)(C)C)c1 | InChi: | InChI=1S/C15H26N2O2Si/c1-15(2,3)20(4,5)19-11-7-10-17-9-6-8-13(12-17)14(16)18/h6,8-9,12H,7,10-11H2,1-5H3,(H-,16,18)/p+1 | 定義日: | 2023-09-22 | 最終更新日: | 2024-06-28 | 公開日: | 2024-07-03 | 識別子(ID): | 1-(3-{[tert-butyl(dimethyl)silyl]oxy}propyl)-3-carbamoylpyridin-1-ium |
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![W3X W3X](https://data.pdbj.org/pdbjplus/data/cc/svg/W3X.svg) | W3X | 表記: | 1-[2-(4-hydroxyphenyl)ethyl]-1,4-dihydropyridine-3-carboxamide | 組成式: | C14 H16 N2 O2 | SMILES: | NC(=O)C=1CC=CN(CCc2ccc(O)cc2)C=1 | InChi: | InChI=1S/C14H16N2O2/c15-14(18)12-2-1-8-16(10-12)9-7-11-3-5-13(17)6-4-11/h1,3-6,8,10,17H,2,7,9H2,(H2,15,18) | 定義日: | 2023-09-22 | 最終更新日: | 2024-06-28 | 公開日: | 2024-07-03 | 識別子(ID): | 1-[2-(4-hydroxyphenyl)ethyl]-1,4-dihydropyridine-3-carboxamide |
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![W46 W46](https://data.pdbj.org/pdbjplus/data/cc/svg/W46.svg) | W46 | 表記: | 1-{[4-(hydroxymethyl)phenyl]methyl}-1,4-dihydropyridine-3-carboxamide | 組成式: | C14 H16 N2 O2 | SMILES: | NC(=O)C=1CC=CN(Cc2ccc(CO)cc2)C=1 | InChi: | InChI=1S/C14H16N2O2/c15-14(18)13-2-1-7-16(9-13)8-11-3-5-12(10-17)6-4-11/h1,3-7,9,17H,2,8,10H2,(H2,15,18) | 定義日: | 2023-09-22 | 最終更新日: | 2024-06-28 | 公開日: | 2024-07-03 | 識別子(ID): | 1-{[4-(hydroxymethyl)phenyl]methyl}-1,4-dihydropyridine-3-carboxamide |
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![W4F W4F](https://data.pdbj.org/pdbjplus/data/cc/svg/W4F.svg) | W4F | 表記: | 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol | 組成式: | C18 H22 O5 | SMILES: | COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1O | InChi: | InChI=1S/C18H22O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h7-11,19H,5-6H2,1-4H3 | 別名: | Erianin | 定義日: | 2023-09-20 | 最終更新日: | 2024-06-28 | 公開日: | 2024-07-03 | 識別子(ID): | 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol |
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![G8I G8I](https://data.pdbj.org/pdbjplus/data/cc/svg/G8I.svg) | G8I | 表記: | (2S)-2-hydroxy-3,3-dimethylbutanoic acid | 組成式: | C6 H12 O3 | SMILES: | O=C(O)C(O)C(C)(C)C | InChi: | InChI=1S/C6H12O3/c1-6(2,3)4(7)5(8)9/h4,7H,1-3H3,(H,8,9)/t4-/m1/s1 | 定義日: | 2023-07-20 | 最終更新日: | 2024-06-28 | 公開日: | 2024-07-03 | 識別子(ID): | (2S)-2-hydroxy-3,3-dimethylbutanoic acid |
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