4-chlorobenzoyl-coA
Chemical Formula:
C28H35N7O17P3SCL
Molecular Weight:
902.055 Daltons
Monoisotopic Mass:
905.102450794 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C1(=CC=C(Cl)C=C1))COP(=O)(OP(=O)(OCC2(OC(C(C2OP([O-])(=O)[O-])O)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
InChI:
1S/C28H39ClN7O17P3S/c1-28(2,22(39)25(40)32-8-7-18(37)31-9-10-57-27(41)15-3-5-16(29)6-4-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)36-14-35-19-23(30)33-13-34-24(19)36/h3-6,13-14,17,20-22,26,38-39H,7-12H2,1-2H3,(H,31,37)(H,32,40)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/p-4/t17-,20-,21-,22+,26-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-1776
KEGG:
C06387
Seed:
cpd03822
MetaNetX:
MNXM1216