precorrin-6B

Properties Image Occurences in reactions MNX_ID MNXM729284 #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 2 formula C44H48N4O16 charge -8 mass 888.31092 reference metacycM:CPD-679 InChIKey KIAIWUYRVXWYAI-VFRONJJUSA-F InChI InChI=1S/C44H56N4O16/c1-40(13-12-34(55)56)25(15-36(59)60)39-44(5)42(3,20-38(63)64)23(8-11-33(53)54)27(48-44)17-30-41(2,19-37(61)62)22(7-10-32(51)52)28(45-30)18-43(4)24(14-35(57)58)21(6-9-31(49)50)26(47-43)16-29(40)46-39/h17,23,25,39,48H,6-16,18-20H2,1-5H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)/p-8/b27-17-/t23-,25+,39-,40-,41+,42+,43+,44+/m1/s1 SMILES C[C@@]12CC3=C(CCC(=O)[O-])[C@](C)(CC(=O)[O-])C(=N3)/C=C3\N[C@@](C)([C@@H]4N=C(CC(=N1)C(CCC(=O)[O-])=C2CC(=O)[O-])[C@](C)(CCC(=O)[O-])[C@H]4CC(=O)[O-])[C@@](C)(CC(=O)[O-])[C@@H]3CCC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph