hydrogenobyrinate

Properties Image Occurences in reactions MNX_ID MNXM727804 #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 2 formula C45H54N4O14 charge -6 mass 874.36694 reference metacycM:CPD-687 InChIKey ALLJLLMNGBKZLT-BRPYDKQXSA-H InChI InChI=1S/C45H60N4O14/c1-21-36-24(10-13-30(52)53)41(3,4)28(47-36)18-27-23(9-12-29(50)51)43(6,19-34(60)61)39(46-27)22(2)37-25(11-14-31(54)55)44(7,20-35(62)63)45(8,49-37)40-26(17-33(58)59)42(5,38(21)48-40)16-15-32(56)57/h18,23-26,40,48H,9-17,19-20H2,1-8H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/p-6/b28-18-,38-21-,39-22-/t23-,24-,25-,26+,40-,42-,43+,44+,45+/m1/s1 SMILES C/C1=C2/N=C(/C=C3\N=C(/C(C)=C4\[NH2+][C@H]([C@H](CC(=O)[O-])[C@@]4(C)CCC(=O)[O-])[C@]4(C)N=C1[C@@H](CCC(=O)[O-])[C@]4(C)CC(=O)[O-])[C@@H](CCC(=O)[O-])C3(C)C)[C@@H](CCC(=O)[O-])[C@]2(C)CC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph