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

Chemical Formula:

C₃₅H₅₀N₇O₁₉P₃S

Molecular Weight:

997.797 Daltons

Monoisotopic Mass:

1001.2408028097 Daltons

SMILES:

CCC=CCC1(C(CCC(=O)1)CC(=O)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/C35H54N7O19P3S/c1-4-5-6-7-22-20(8-9-23(22)44)14-21(43)15-26(46)65-13-12-37-25(45)10-11-38-33(49)30(48)35(2,3)17-58-64(55,56)61-63(53,54)57-16-24-29(60-62(50,51)52)28(47)34(59-24)42-19-41-27-31(36)39-18-40-32(27)42/h5-6,18-20,22,24,28-30,34,47-48H,4,7-17H2,1-3H3,(H,37,45)(H,38,49)(H,53,54)(H,55,56)(H2,36,39,40)(H2,50,51,52)/p-4/b6-5-/t20-,22+,24-,28-,29-,30+,34-/m1/s1

InChIKey:

QGJLCXXJEFRWHP-JQUKJZMASA-J

Synonyms

OPC4-3-ketoacyl-CoA

Databases

MetaCyc: CPD-11528

PubChem (CID): 126961198

Seed: cpd22987

MetaNetX: MNXM165041