2,4,6 octatrienedioyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM165602 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C29H37N7O19P3S charge -5 mass 912.11052 reference metacycM:CPD-18440 InChIKey LOSREJIQKHGNJQ-SVYASFHVSA-I InChI InChI=1S/C29H42N7O19P3S/c1-29(2,24(42)27(43)32-10-9-18(37)31-11-12-59-20(40)8-6-4-3-5-7-19(38)39)14-52-58(49,50)55-57(47,48)51-13-17-23(54-56(44,45)46)22(41)28(53-17)36-16-35-21-25(30)33-15-34-26(21)36/h3-8,15-17,22-24,28,41-42H,9-14H2,1-2H3,(H,31,37)(H,32,43)(H,38,39)(H,47,48)(H,49,50)(H2,30,33,34)(H2,44,45,46)/p-5/b4-3+,7-5+,8-6-/t17-,22-,23-,24+,28-/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)/C=C\C=C\C=C\C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph