6-cis, 3-oxo-tridecenoyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM147860 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C34H52N7O18P3S charge -4 mass 971.23243 reference metacycM:CPD-15667 InChIKey FDXHXLPCLXEYSU-DXAZUOFZSA-J InChI InChI=1S/C34H56N7O18P3S/c1-4-5-6-7-8-9-10-11-12-22(42)17-25(44)63-16-15-36-24(43)13-14-37-32(47)29(46)34(2,3)19-56-62(53,54)59-61(51,52)55-18-23-28(58-60(48,49)50)27(45)33(57-23)41-21-40-26-30(35)38-20-39-31(26)41/h9-10,20-21,23,27-29,33,45-46H,4-8,11-19H2,1-3H3,(H,36,43)(H,37,47)(H,51,52)(H,53,54)(H2,35,38,39)(H2,48,49,50)/p-4/b10-9-/t23-,27-,28-,29+,33-/m1/s1 SMILES CCCCCC/C=C\CCC(=O)CC(=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