chloroethylmalonyl-CoA
Chemical Formula:
C26H36N7O19P3SCL
Molecular Weight:
911.04 Daltons
Monoisotopic Mass:
915.1079301024 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C(C(=O)[O-])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/C26H41ClN7O19P3S/c1-26(2,19(37)22(38)30-6-4-15(35)29-7-8-57-25(41)13(3-5-27)24(39)40)10-50-56(47,48)53-55(45,46)49-9-14-18(52-54(42,43)44)17(36)23(51-14)34-12-33-16-20(28)31-11-32-21(16)34/h11-14,17-19,23,36-37H,3-10H2,1-2H3,(H,29,35)(H,30,38)(H,39,40)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/p-5/t13?,14-,17-,18-,19+,23-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-12675
PubChem (CID):
49859729
Seed:
cpd23526
MetaNetX:
MNXM10927