BUTYRYL COENZYME A LITHIUM SALT

pro_cas
102282-28-0
pro_cdbregno
CCD03478481
pro_formula
C25 H39 N7 O17 P3 S . 3 Li
pro_molWeight
855.426

basic_info

Product_Name: BUTYRYL COENZYME A LITHIUM SALT
CAS: 102282-28-0
EnglishSynonyms: BUTYRYL COENZYME A LITHIUM SALT ; BUTYRYL-COENZYM A DILITHIUMSALZ
pro_mdlNumber: MFCD17215979
pro_acceptors: 24
pro_donors: 6
pro_smile: [Li+].[Li+].[Li+].CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O
InChi: InChI=1S/C25H42N7O17P3S.3Li/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32;;;/h12-14,18-20,24,35-36H,4-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40);;;/q;3*+1/p-3/t14-,18-,19-,20+,24-;;;/m1.../s1
InChiKey: InChIKey=SSSSPMGDEUHRDN-WSRMJXCZSA-K

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