基本信息 |
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产品名称: | 4-PENTYNOYL-COENZYME A, TRIFLUOROACETATE SALT |
英文同义词: | S-4-PENTYNOATE COENZYME A, TRIFLUOROACETATE SALT ; 4-PENTYNOYL-COENZYME A, TRIFLUOROACETATE SALT |
MDL号: | MFCD18428000 |
氢键受体数量: | 24 |
氢键供体数量: | 9 |
Smile: | CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCC#C)O.C(=O)(C(F)(F)F)O |
InChi: | InChI=1S/C26H40N7O17P3S.C2HF3O2/c1-4-5-6-17(35)54-10-9-28-16(34)7-8-29-24(38)21(37)26(2,3)12-47-53(44,45)50-52(42,43)46-11-15-20(49-51(39,40)41)19(36)25(48-15)33-14-32-18-22(27)30-13-31-23(18)33;3-2(4,5)1(6)7/h1,13-15,19-21,25,36-37H,5-12H2,2-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41);(H,6,7)/t15-,19-,20-,21+,25-;/m1./s1 |
InChiKey: | InChIKey=SIDLSNSJGSPOJG-WADKRTIVSA-N |
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