ACETOACETYL COENZYME A SODIUM SALT HYDRATE

Basic Information
Product Name：	ACETOACETYL COENZYME A SODIUM SALT HYDRATE
English Synonyms：	ACETOACETYL-COANA3 TRIHYDRATE ; ACETOACETYL COENZYME A TRISODIUM SALT TRIHYDRATE ; COENZYME A ACETOACETYL DERIVATIVE TRISODIUM SALT HYDRATE ; ACETOACETYL-COANA3 HYDRATE ; ACETOACETYL COENZYME A SODIUM SALT HYDRATE
MDL Number.：	MFCD00167410
H bond acceptor：	25
H bond donor：	6
Smile：	CC(=O)CC(=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.O.O.O.[Na+].[Na+].[Na+]
InChi：	InChI=1S/C25H40N7O18P3S.3Na.3H2O/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32;;;;;;/h11-12,14,18-20,24,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41);;;;31H2/q;3+1;;;/p-3/t14-,18-,19-,20+,24-;;;;;;/m1....../s1
InChiKey：	InChIKey=LCLUGZSOJXHYCT-OPDSOWRDSA-K

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