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

Chemical Formula:

C₃₇H₅₆N₇O₁₈P₃S

Molecular Weight:

1011.867 Daltons

Monoisotopic Mass:

1015.2928383802001 Daltons

SMILES:

CCC=CCC1(C(CCC(=O)1)CCCCCC(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/C37H60N7O18P3S/c1-4-5-7-11-24-23(13-14-25(24)45)10-8-6-9-12-28(47)66-18-17-39-27(46)15-16-40-35(50)32(49)37(2,3)20-59-65(56,57)62-64(54,55)58-19-26-31(61-63(51,52)53)30(48)36(60-26)44-22-43-29-33(38)41-21-42-34(29)44/h5,7,21-24,26,30-32,36,48-49H,4,6,8-20H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/p-4/b7-5-/t23-,24-,26+,30+,31+,32-,36+/m0/s1

InChIKey:

VWFUYQVGVAEVNH-WZGLBKMISA-J

Synonyms

OPC6-CoA

Databases

MetaCyc: CPD-11521

ChEBI: 138431

PubChem (CID): 126961015

Seed: cpd15047

HMDB: HMDB11114

MetaNetX: MNXM5871

KEGG: C16331