precorrin-5

Properties Image Occurences in reactions MNX_ID MNXM729932 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 2 formula C45H46N4O17 charge -8 mass 914.29018 reference metacycM:CPD-662 InChIKey OUPXZNRNMLYOGK-YMEZBZPWSA-F InChI InChI=1S/C45H54N4O17/c1-21(50)45-40-26(15-37(61)62)41(2,13-12-35(57)58)30(47-40)16-27-22(6-9-32(51)52)25(14-36(59)60)44(5,48-27)18-29-23(7-10-33(53)54)42(3,19-38(63)64)31(46-29)17-28(49-45)24(8-11-34(55)56)43(45,4)20-39(65)66/h17,24,49H,6-16,18-20H2,1-5H3,(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)/p-8/b28-17-/t24-,41-,42+,43+,44?,45+/m1/s1 SMILES CC(=O)[C@]12N/C(=C\C3=NC(=C(CCC(=O)[O-])[C@]3(C)CC(=O)[O-])CC3(C)N=C(CC4=NC1=C(CC(=O)[O-])[C@@]4(C)CCC(=O)[O-])C(CCC(=O)[O-])=C3CC(=O)[O-])[C@@H](CCC(=O)[O-])[C@]2(C)CC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph