2-furoyl-CoA
Chemical Formula:
C26H34N7O18P3S
Molecular Weight:
857.572 Daltons
Monoisotopic Mass:
861.120687674 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C1(OC=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/C26H38N7O18P3S/c1-26(2,20(36)23(37)29-6-5-16(34)28-7-9-55-25(38)14-4-3-8-46-14)11-48-54(44,45)51-53(42,43)47-10-15-19(50-52(39,40)41)18(35)24(49-15)33-13-32-17-21(27)30-12-31-22(17)33/h3-4,8,12-13,15,18-20,24,35-36H,5-7,9-11H2,1-2H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-4/t15-,18-,19-,20+,24-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-73
ChEBI:
57333
PubChem (CID):
45266566
KEGG:
C00845
Seed:
cpd00629
MetaNetX:
MNXM2321