hydrogenobyrinate a,c-diamide

Properties Image Occurences in reactions MNX_ID MNXM726057 #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 2 formula C45H60N6O12 charge -2 mass 876.42802 reference chebi:77874 InChIKey JJMDOVLPFPOLFZ-IPUCCYEASA-L InChI InChI=1S/C45H62N6O12/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61/h18,23-26,40,51H,9-17,19-20H2,1-8H3,(H2,46,52)(H2,47,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/p-2/b27-18-,36-21-,37-22-/t23-,24-,25-,26+,40-,42-,43+,44+,45+/m1/s1 SMILES C/C1=C2/[NH+]=C(/C=C3\[NH+]=C(/C(C)=C4\N[C@@](C)([C@@H]5[NH+]=C1[C@](C)(CCC(=O)[O-])[C@H]5CC(=O)[O-])[C@@](C)(CC(N)=O)[C@@H]4CCC(=O)[O-])[C@@](C)(CC(N)=O)[C@@H]3CCC(=O)[O-])C(C)(C)[C@@H]2CCC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph