4-chloro-crotonyl-CoA
Chemical Formula:
C25H35N7O17P3SCL
Molecular Weight:
866.022 Daltons
Monoisotopic Mass:
869.102450794 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CCCl)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/C25H39ClN7O17P3S/c1-25(2,20(37)23(38)29-7-5-15(34)28-8-9-54-16(35)4-3-6-26)11-47-53(44,45)50-52(42,43)46-10-14-19(49-51(39,40)41)18(36)24(48-14)33-13-32-17-21(27)30-12-31-22(17)33/h3-4,12-14,18-20,24,36-37H,5-11H2,1-2H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-4/b4-3+/t14-,18-,19-,20+,24-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-12680
PubChem (CID):
49859566
Seed:
cpd23529
MetaNetX:
MNXM10182