3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(E-octa-2-enoyl)-CoA

Chemical Formula:

C₃₉H₅₈N₇O₁₈P₃S

Molecular Weight:

1037.905 Daltons

Monoisotopic Mass:

1041.3084884444 Daltons

SMILES:

CCC=CCC1(C(CCC(=O)1)CCCCCC=CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-])=O)

InChI:

1S/C39H62N7O18P3S/c1-4-5-9-13-26-25(15-16-27(26)47)12-10-7-6-8-11-14-30(49)68-20-19-41-29(48)17-18-42-37(52)34(51)39(2,3)22-61-67(58,59)64-66(56,57)60-21-28-33(63-65(53,54)55)32(50)38(62-28)46-24-45-31-35(40)43-23-44-36(31)46/h5,9,11,14,23-26,28,32-34,38,50-51H,4,6-8,10,12-13,15-22H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/b9-5-,14-11+/t25-,26-,28+,32+,33+,34-,38+/m0/s1

InChIKey:

WDBPMRZYBZCIQE-DZXUBONNSA-J

Synonyms

OPC8-trans-2-enoyl-CoA

Databases

MetaCyc: CPD-11518

PubChem (CID): 126961070

Seed: cpd22979

MetaNetX: MNXM165048