22-carboxy-docosanoyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM114655 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C43H71N7O19P3S charge -5 mass 1114.37657 reference metacycM:CPD-14775 InChIKey YFVKVAPATGWZOF-RMCJPFTISA-I InChI InChI=1S/C43H76N7O19P3S/c1-43(2,28-66-72(63,64)69-71(61,62)65-27-31-37(68-70(58,59)60)36(55)42(67-31)50-30-49-35-39(44)47-29-48-40(35)50)38(56)41(57)46-24-23-32(51)45-25-26-73-34(54)22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-33(52)53/h29-31,36-38,42,55-56H,3-28H2,1-2H3,(H,45,51)(H,46,57)(H,52,53)(H,61,62)(H,63,64)(H2,44,47,48)(H2,58,59,60)/p-5/t31-,36-,37-,38+,42-/m1/s1 SMILES CC(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-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph