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

Chemical Formula:

C₃₇H₅₆N₇O₁₉P₃S

Molecular Weight:

1027.866 Daltons

Monoisotopic Mass:

1031.2877530023 Daltons

SMILES:

CCC=CCC1(C(CCC(=O)1)CCCC(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/C37H60N7O19P3S/c1-4-5-6-10-24-22(11-12-25(24)46)8-7-9-23(45)17-28(48)67-16-15-39-27(47)13-14-40-35(51)32(50)37(2,3)19-60-66(57,58)63-65(55,56)59-18-26-31(62-64(52,53)54)30(49)36(61-26)44-21-43-29-33(38)41-20-42-34(29)44/h5-6,20-24,26,30-32,36,45,49-50H,4,7-19H2,1-3H3,(H,39,47)(H,40,51)(H,55,56)(H,57,58)(H2,38,41,42)(H2,52,53,54)/p-4/b6-5-/t22-,23-,24-,26+,30+,31+,32-,36+/m0/s1

InChIKey:

OMDQVIUYDJAWHX-QHZCMHFTSA-J

Synonyms

OPC6-3-hydroxyacyl-CoA

Databases

MetaCyc: CPD-11523

PubChem (CID): 126961082

Seed: cpd22983

MetaNetX: MNXM165043