[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-enyl]acetyl-CoA

Chemical Formula:

C₃₁H₄₄N₇O₁₈P₃S

Molecular Weight:

927.706 Daltons

Monoisotopic Mass:

931.1989379949999 Daltons

SMILES:

CC1(C(C(C(C=1)=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)(C)C)

InChI:

1S/C31H48N7O18P3S/c1-16-10-18(39)17(31(16,4)5)11-21(41)60-9-8-33-20(40)6-7-34-28(44)25(43)30(2,3)13-53-59(50,51)56-58(48,49)52-12-19-24(55-57(45,46)47)23(42)29(54-19)38-15-37-22-26(32)35-14-36-27(22)38/h10,14-15,17,19,23-25,29,42-43H,6-9,11-13H2,1-5H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/p-4/t17-,19+,23+,24+,25-,29+/m0/s1

InChIKey:

QRPFCCJPSQOMPY-WNZSEHGDSA-J

Synonyms

2-oxo-Δ³-4,5,5-trimethylcyclopentenylacetyl-CoA
[(1R)-4,5,5-trimethyl-2-oxocyclopent-3-enyl]acetyl-CoA

Databases

MetaCyc: CPD-867

PubChem (CID): 57339184

ChEBI: 64784

KEGG: C07160

UMBBD-Compounds: c0411

Seed: cpd04416

MetaNetX: MNXM30541