基本信息 |
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产品名称: | 3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE PHOSPHATE SODIUM SALT HYDRATE |
英文同义词: | 3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE PHOSPHATE SODIUM SALT HYDRATE |
MDL号: | MFCD16879054 |
氢键受体数量: | 23 |
氢键供体数量: | 6 |
Smile: | CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O.O.[Na+] |
InChi: | InChI=1S/C22H29N6O17P3.Na.H2O/c1-10(29)11-3-2-4-27(5-11)21-17(32)15(30)12(42-21)6-40-47(36,37)45-48(38,39)41-7-13-16(31)18(44-46(33,34)35)22(43-13)28-9-26-14-19(23)24-8-25-20(14)28;;/h2-5,8-9,12-13,15-18,21-22,30-32H,6-7H2,1H3,(H5-,23,24,25,33,34,35,36,37,38,39);;1H2/q;+1;/p-1/t12-,13-,15-,16-,17-,18-,21-,22-;;/m1../s1 |
InChiKey: | InChIKey=QJKUVTDEKOQDQM-MNXWHKAMSA-M |
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