3-(4-methylpent-3-en-1-yl)-pent-2-enedioyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM732402 #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0 formula C32H45N7O19P3S charge -5 mass 956.17312 reference metacycM:CPD-76 InChIKey BVEJAKPMABGOEE-XMLXCZKLSA-I InChI InChI=1S/C32H50N7O19P3S/c1-18(2)6-5-7-19(12-22(41)42)13-23(43)62-11-10-34-21(40)8-9-35-30(46)27(45)32(3,4)15-55-61(52,53)58-60(50,51)54-14-20-26(57-59(47,48)49)25(44)31(56-20)39-17-38-24-28(33)36-16-37-29(24)39/h6,13,16-17,20,25-27,31,44-45H,5,7-12,14-15H2,1-4H3,(H,34,40)(H,35,46)(H,41,42)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/p-5/b19-13-/t20-,25-,26-,27+,31-/m1/s1 SMILES CC(C)=CCC/C(=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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-])CC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph