2-oxoglutaryl-CoA

Chemical Formula:

C₂₆H₃₅N₇O₂₀P₃S

Molecular Weight:

890.579 Daltons

Monoisotopic Mass:

895.1261669823999 Daltons

SMILES:

CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C(=O)CCC(=O)[O-])=O)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/C26H40N7O20P3S/c1-26(2,20(39)23(40)29-6-5-15(35)28-7-8-57-25(41)13(34)3-4-16(36)37)10-50-56(47,48)53-55(45,46)49-9-14-19(52-54(42,43)44)18(38)24(51-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-12,14,18-20,24,38-39H,3-10H2,1-2H3,(H,28,35)(H,29,40)(H,36,37)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/p-5/t14-,18-,19-,20+,24-/m1/s1

InChIKey:

QYHKIXYHXCJHTR-CITAKDKDSA-I

Synonyms

α-ketoglutaryl-CoA

Databases

MetaCyc: CPD-14112

PubChem (CID): 90658447

ChEBI: 71349

Seed: cpd24184

MetaNetX: MNXM97386

KEGG: C20447