40780-14-1 ((Linolenoyl-CoA)

CAS号:
40780-14-1
英文名称:
Linolenoyl-CoA
分子式:
C39H66N7O17P3S
分子量:
1029.96433210373

Linolenoyl-CoA(40780-14-1)名称与标识符

标识符

InChIKey:
YECLLIMZHNYFCK-RRNJGNTNSA-N
Inchi:
1S/C39H66N7O17P3S/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/h8-9,11-12,26-28,32-34,38,49-50H,4-7,10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b9-8-,12-11-/t28-,32-,33-,34+,38-/m1/s1
SMILES:
[C@H]1(O[C@H](COP(=O)(O)OP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCC/C=C\C/C=C\CCCCC)[C@@H](OP(=O)(O)O)[C@H]1O)N1C=NC2C(N)=NC=NC1=2