dimethylsulfoniopropioyl-CoA
Chemical Formula:
C26H41N7O17P3S2
Molecular Weight:
880.688 Daltons
Monoisotopic Mass:
884.1526189666 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC[S+](C)C)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/C26H44N7O17P3S2/c1-26(2,21(37)24(38)29-7-5-16(34)28-8-9-54-17(35)6-10-55(3)4)12-47-53(44,45)50-52(42,43)46-11-15-20(49-51(39,40)41)19(36)25(48-15)33-14-32-18-22(27)30-13-31-23(18)33/h13-15,19-21,25,36-37H,5-12H2,1-4H3,(H7-,27,28,29,30,31,34,38,39,40,41,42,43,44,45)/p-3/t15-,19-,20-,21+,25-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-10473
PubChem (CID):
25203311
MetaNetX:
MNXM11404