3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3-oxooctanoyl)-CoA

Chemical Formula:

C₃₉H₅₈N₇O₁₉P₃S

Molecular Weight:

1053.904 Daltons

Monoisotopic Mass:

1057.3034030665 Daltons

SMILES:

CCC=CCC1(C(CCC(=O)1)CCCCCC(=O)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/C39H62N7O19P3S/c1-4-5-7-12-26-24(13-14-27(26)48)10-8-6-9-11-25(47)19-30(50)69-18-17-41-29(49)15-16-42-37(53)34(52)39(2,3)21-62-68(59,60)65-67(57,58)61-20-28-33(64-66(54,55)56)32(51)38(63-28)46-23-45-31-35(40)43-22-44-36(31)46/h5,7,22-24,26,28,32-34,38,51-52H,4,6,8-21H2,1-3H3,(H,41,49)(H,42,53)(H,57,58)(H,59,60)(H2,40,43,44)(H2,54,55,56)/p-4/b7-5-/t24-,26-,28+,32+,33+,34-,38+/m0/s1

InChIKey:

YYCCMACTOAJGGW-OZVHGMPNSA-J

Synonyms

OPC8-3-ketoacyl-CoA

Databases

MetaCyc: CPD-11520

PubChem (CID): 126961059

Seed: cpd22981

MetaNetX: MNXM165047