oxalyl-CoA
Chemical Formula:
C23H31N7O19P3S
Molecular Weight:
834.515 Daltons
Monoisotopic Mass:
839.0999522318999 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C([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/C23H36N7O19P3S/c1-23(2,16(33)19(34)26-4-3-12(31)25-5-6-53-22(37)21(35)36)8-46-52(43,44)49-51(41,42)45-7-11-15(48-50(38,39)40)14(32)20(47-11)30-10-29-13-17(24)27-9-28-18(13)30/h9-11,14-16,20,32-33H,3-8H2,1-2H3,(H,25,31)(H,26,34)(H,35,36)(H,41,42)(H,43,44)(H2,24,27,28)(H2,38,39,40)/p-5/t11-,14-,15-,16+,20-/m1/s1
InChIKey:
Synonyms
- CoA-oxalate
Databases
MetaCyc:
OXALYL-COA
ChEBI:
57388
PubChem (CID):
45266609
KEGG:
C00313
Seed:
cpd00262
MetaNetX:
MNXM618