3-oxopentanoyl-CoA

Chemical Formula:

C₂₆H₃₈N₇O₁₈P₃S

Molecular Weight:

861.604 Daltons

Monoisotopic Mass:

865.1519878024 Daltons

SMILES:

CCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]

InChI:

1S/C26H42N7O18P3S/c1-4-14(34)9-17(36)55-8-7-28-16(35)5-6-29-24(39)21(38)26(2,3)11-48-54(45,46)51-53(43,44)47-10-15-20(50-52(40,41)42)19(37)25(49-15)33-13-32-18-22(27)30-12-31-23(18)33/h12-13,15,19-21,25,37-38H,4-11H2,1-3H3,(H,28,35)(H,29,39)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/p-4/t15-,19-,20-,21+,25-/m1/s1

InChIKey:

WIOQNWTZBOQTEU-ZMHDXICWSA-J

Synonyms

β-ketovaleryl-CoA

Databases

MetaCyc: CPD-13534

PubChem (CID): 90658928

Seed: cpd23921

MetaNetX: MNXM13296