4-chloro-3-hydroxybutyryl-CoA
Chemical Formula:
C25H37N7O18P3SCL
Molecular Weight:
884.038 Daltons
Monoisotopic Mass:
887.1130154803 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)CCl)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/C25H41ClN7O18P3S/c1-25(2,20(38)23(39)29-4-3-15(35)28-5-6-55-16(36)7-13(34)8-26)10-48-54(45,46)51-53(43,44)47-9-14-19(50-52(40,41)42)18(37)24(49-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-14,18-20,24,34,37-38H,3-10H2,1-2H3,(H,28,35)(H,29,39)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/p-4/t13-,14+,18+,19+,20-,24+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-12679
PubChem (CID):
49859732
Seed:
cpd23528
MetaNetX:
MNXM10181