(5Z,8Z,11Z,14Z-EICOSATETRAENOYL)COENZYME A AMMONIUM SALT

799812-93-4

MFCD22416922

C41 H63 N7 O17 P3 S . 3 H4 N

1105.08

InChI=1S/C41H66N7O17P3S.3H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48;;;/h8-9,11-12,14-15,17-18,28-30,34-36,40,51-52H,4-7,10,13,16,19-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56);3*1H3/b9-8-,12-11-,15-14-,18-17-;;;/t30-,34-,35-,36+,40-;;;/m1.../s1

InChIKey=WINHAGOPPOAZSF-ZTNAEKLESA-N

CCCCC/C=C\C/C=C\C/C=C\C/C=C\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.[NH4+].[NH4+].[NH4+]

pro_donors:6

pro_acceptors:24

XLogP3:2.0

Bulk/Fine:F