(2E,11Z)-hexadec-2,11-dienoyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM147627 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C37H58N7O17P3S charge -4 mass 997.28447 reference metacycM:CPD-17813 InChIKey AMSSMXHTRODKSM-FYYFNCOUSA-J InChI InChI=1S/C37H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h7-8,16-17,24-26,30-32,36,47-48H,4-6,9-15,18-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b8-7-,17-16+/t26-,30-,31-,32+,36-/m1/s1 SMILES CCCC/C=C\CCCCCCC/C=C/C(=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