2-oxepin-2(3H)-ylideneacetyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM733466 #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0 formula C29H38N7O18P3S charge -4 mass 897.12288 reference metacycM:CPD0-2363 InChIKey ZQZCWPBSHHYCMM-INZOJRBRSA-J InChI InChI=1S/C29H42N7O18P3S/c1-29(2,24(40)27(41)32-8-7-19(37)31-9-11-58-20(38)12-17-6-4-3-5-10-49-17)14-51-57(47,48)54-56(45,46)50-13-18-23(53-55(42,43)44)22(39)28(52-18)36-16-35-21-25(30)33-15-34-26(21)36/h3-5,10,12,15-16,18,22-24,28,39-40H,6-9,11,13-14H2,1-2H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/p-4/b17-12+/t18-,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=C1\CC=CC=CO1

Parent-child relations graph

Deprecated MNXref IDs graph