Compound Details

 Compound-ID 8677
 Common Name Hydrogenobyrinate a,c diamide
 Synonyms Hydrogenobyrinate diamide
Hydrogenobyrinic acid a,c diamide
Hydrogenobyrinic acid a,c-diamide
 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)/b27-18-,36-21-,37-22-/t23-,24-,25-,26+,40-,42-,43+,44+,45+/m1/s1
 SMILES CC=1C5=NC(=CC4=NC(=C(C)C3=NC(C)(C2NC=1C(C)(CCC(O)=O)C2(CC(O)=O))C(C)(CC(N)=O)C3(CCC(O)=O))C(C)(CC(N)=O)C4(CCC(O)=O))C(C)(C)C5(CCC(O)=O)
 External Links
 KEGG-COMPOUND-ID C06503
 PUBCHEM-ID 8734
 ChEBI-ID 27914
 METANETX-ID MNXM819831


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