marinoloyl-CoA C

Properties Image Occurences in reactions MNX_ID MNXM164903 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C46H72N7O23P3S charge -4 mass 1215.36351 reference chebi:142976 InChIKey GTZVPCXLFKVDJU-BPAGBPQKSA-J InChI InChI=1S/C46H76N7O23P3S/c1-27(20-31-38(59)37(58)30(22-71-31)13-11-12-28(2)29(3)54)21-34(56)70-18-10-8-6-7-9-14-35(57)80-19-17-48-33(55)15-16-49-44(62)41(61)46(4,5)24-73-79(68,69)76-78(66,67)72-23-32-40(75-77(63,64)65)39(60)45(74-32)53-26-52-36-42(47)50-25-51-43(36)53/h11-12,21,25-26,28-32,37-41,45,54,58-61H,6-10,13-20,22-24H2,1-5H3,(H,48,55)(H,49,62)(H,66,67)(H,68,69)(H2,47,50,51)(H2,63,64,65)/p-4/b12-11+,27-21+/t28-,29+,30+,31+,32-,37-,38+,39-,40-,41+,45-/m1/s1 SMILES C/C(=C\C(=O)OCCCCCCCC(=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-])C[C@@H]1OC[C@H](C/C=C/[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph