Adenosyl cobyrinate diamide

Molecular Formula: C₅₅H₇₃CoN₁₁O₁₅⁺

InChI: InChI=1/C45H62N6O12.C10H12N5O3.Co/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;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H10,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;-1;+3/p-1/t23-,24-,25-,26+,40?,42-,43+,44+,45+;4-,6-,7-,10-;/m11./s1/fC45H61N6O12.C10H12N5O3.Co/h54,56,58,60,62H,46-47H2;11H2;/q-1;2m/b28-18-,38-21-,39-22-;;

InChIKey: InChIKey=OQTDHDDYVKUSEW-YKFODLLYDO
SMILES: CC1=C2C(C(C([N-]2)C3(C(C(C(=N3)C(=C4C(C(C(=N4)C=C5C(C(C1=N5)CCC(=O)O)(C)C)CCC(=O)O)(C)CC(=O)N)C)CCC(=O)O)(C)CC(=O)N)C)CC(=O)O)(C)CCC(=O)O.[CH2-]C1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O.[Co+3]

Names:
    Adenosylcobyrinic acid a,c-diamide
    Adenosylcob(III)yrinic acid a,c-diamide
    Adenosyl cobyrinate a,c diamide
    Adenosyl cobyrinate diamide
    C06506

Registries:
    PubChem CID 5462319
    PubChem ID 8737