20-CoA-20-oxo-leukotriene B4

Properties Image Occurences in reactions MNX_ID MNXM734695 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 6 formula C41H59N7O21P3S charge -5 mass 1110.2725 reference biggM:CE6182 InChIKey WLWKYZHFLKRKEU-STLZXTEESA-I InChI InChI=1S/C41H64N7O21P3S/c1-41(2,24-66-72(63,64)69-71(61,62)65-23-29-35(68-70(58,59)60)34(55)40(67-29)48-26-47-33-37(42)45-25-46-38(33)48)36(56)39(57)44-20-19-30(51)43-21-22-73-32(54)18-11-5-3-4-8-13-27(49)14-9-6-7-10-15-28(50)16-12-17-31(52)53/h4,6-10,14-15,25-29,34-36,40,49-50,55-56H,3,5,11-13,16-24H2,1-2H3,(H,43,51)(H,44,57)(H,52,53)(H,61,62)(H,63,64)(H2,42,45,46)(H2,58,59,60)/p-5/b7-6+,8-4-,14-9?,15-10-/t27-,28-,29+,34-,35-,36?,40+/m0/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)CCCC/C=C\C[C@H](O)C=C/C=C/C=C\[C@H](O)CCCC(=O)[O-]

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