dimethylsulfoniopropanoyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM11404 #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0 formula C26H41N7O17P3S2 charge -3 mass 880.12297 reference metacycM:CPD-10473 InChIKey MVWHJSIFNIUPBH-ZMHDXICWSA-K InChI 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 SMILES C[S+](C)CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]

Parent-child relations graph

Deprecated MNXref IDs graph