2,4-dichlorobenzoyl-CoA
Chemical Formula:
C28H34N7O17P3SCL2
Molecular Weight:
936.501 Daltons
Monoisotopic Mass:
939.0634784719 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C1(=CC=C(C=C1Cl)Cl))=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/C28H38Cl2N7O17P3S/c1-28(2,22(40)25(41)33-6-5-18(38)32-7-8-58-27(42)15-4-3-14(29)9-16(15)30)11-51-57(48,49)54-56(46,47)50-10-17-21(53-55(43,44)45)20(39)26(52-17)37-13-36-19-23(31)34-12-35-24(19)37/h3-4,9,12-13,17,20-22,26,39-40H,5-8,10-11H2,1-2H3,(H,32,38)(H,33,41)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/p-4/t17-,20-,21-,22+,26-/m1/s1
InChIKey:
Databases
MetaCyc:
24-DICHLOROBENZOYL-COA
ChEBI:
57329
PubChem (CID):
45266563
KEGG:
C06671
Seed:
cpd04072
MetaNetX:
MNXM3154