(9Z-OCTADECENOYL) COENZYME A AMMONIUM SALT

799812-89-8

MFCD22416920

C39 H65 N7 O17 P3 S . 3 H4 N

1083.08

InChI=1S/C39H68N7O17P3S.3H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46;;;/h11-12,26-28,32-34,38,49-50H,4-10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54);3*1H3/b12-11-;;;/t28-,32-,33-,34+,38-;;;/m1.../s1

InChIKey=NKHKRXKEDWPIOC-XBWJJQAPSA-N

CCCCCCCC/C=C\CCCCCCCC(=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.[NH4+].[NH4+].[NH4+]

pro_donors:6

pro_acceptors:24

XLogP3:1.0

Bulk/Fine:F