Compound Details

 Compound-ID 8132
 Common Name Cobyrinate
 Synonyms Cobyrinic acid
 InChI InChI=1S/C45H60N4O14.Co/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;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H8,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+3/p-1/t23-,24-,25-,26+,40-,42-,43+,44+,45+;/m1./s1
 SMILES [H]C25(N=C(C(C)=C4N=C(C=C3N=C(C(C)=C1C(CCC(O)=O)C(C)(CC(O)=O)C2(C)(N1[Co+]))C(C)(CC(O)=O)C3(CCC(O)=O))C(C)(C)C4(CCC(O)=O))C(C)(CCC(O)=O)C5(CC(O)=O))
 External Links
 KEGG-COMPOUND-ID C05773
 PUBCHEM-ID 8068
 ChEBI-ID 33907
 METANETX-ID MNXM736796


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