18-CoA-18-oxo-dinorleukotriene B4

Properties Image Occurences in reactions MNX_ID MNXM734415 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 5 formula C39H55N7O21P3S charge -5 mass 1082.2412 reference biggM:CE6184 InChIKey CQLBXHGTJMWNLT-YKCOLWQXSA-I InChI InChI=1S/C39H60N7O21P3S/c1-39(2,22-64-70(61,62)67-69(59,60)63-21-27-33(66-68(56,57)58)32(53)38(65-27)46-24-45-31-35(40)43-23-44-36(31)46)34(54)37(55)42-18-17-28(49)41-19-20-71-30(52)16-9-5-8-13-25(47)11-6-3-4-7-12-26(48)14-10-15-29(50)51/h3-8,11-12,23-27,32-34,38,47-48,53-54H,9-10,13-22H2,1-2H3,(H,41,49)(H,42,55)(H,50,51)(H,59,60)(H,61,62)(H2,40,43,44)(H2,56,57,58)/p-5/b4-3+,8-5-,11-6+,12-7-/t25-,26+,27-,32+,33+,34?,38-/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(O)C(=O)NCCC(=O)NCCSC(=O)CC/C=C\C[C@H](O)/C=C/C=C/C=C\[C@H](O)CCCC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph