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

Chemical Formula:

C₃₅H₅₀N₇O₁₈P₃S

Molecular Weight:

981.797 Daltons

Monoisotopic Mass:

985.2458881875999 Daltons

SMILES:

CCC=CCC1(C(CCC(=O)1)CC=CC(=O)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-])

InChI:

1S/C35H54N7O18P3S/c1-4-5-6-9-22-21(11-12-23(22)43)8-7-10-26(45)64-16-15-37-25(44)13-14-38-33(48)30(47)35(2,3)18-57-63(54,55)60-62(52,53)56-17-24-29(59-61(49,50)51)28(46)34(58-24)42-20-41-27-31(36)39-19-40-32(27)42/h5-7,10,19-22,24,28-30,34,46-47H,4,8-9,11-18H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/p-4/b6-5-,10-7+/t21-,22-,24+,28+,29+,30-,34+/m0/s1

InChIKey:

QSAQFDYWYNLXEC-GUQXGGMCSA-J

Synonyms

OPC4-trans-2-enoyl-CoA

Databases

MetaCyc: CPD-11526

PubChem (CID): 126961185

Seed: cpd22985

MetaNetX: MNXM165042