5-oxo-2-furoyl-CoA
Chemical Formula:
C26H34N7O19P3S
Molecular Weight:
873.571 Daltons
Monoisotopic Mass:
877.1156022961001 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C1(OC(=O)CC=1))=O)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/C26H38N7O19P3S/c1-26(2,20(37)23(38)29-6-5-15(34)28-7-8-56-25(39)13-3-4-16(35)49-13)10-48-55(45,46)52-54(43,44)47-9-14-19(51-53(40,41)42)18(36)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h3,11-12,14,18-20,24,36-37H,4-10H2,1-2H3,(H,28,34)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/p-4/t14-,18-,19-,20+,24-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-14109
PubChem (CID):
90659217
Seed:
cpd24183
MetaNetX:
MNXM4393