cobyrinic acid-abcdeg-hexamide

[1. The hexa-amide of cobyrinic acid; a part of the vitamin B12 structure.

Molecular Formula: C₄₅H₆₅CoN₁₀O₈⁺

InChI: InChI=1/C45H66N10O8.Co/c1-21-36-24(10-13-30(47)57)41(3,4)28(53-36)18-27-23(9-12-29(46)56)43(6,19-33(50)60)39(52-27)22(2)37-25(11-14-31(48)58)44(7,20-34(51)61)45(8,55-37)40-26(17-32(49)59)42(5,38(21)54-40)16-15-35(62)63;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H14,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/p-1/t23-,24-,25-,26+,40-,42-,43+,44+,45+;/m1./s1/fC45H65N10O8.Co/h62H,46-51H2;/q-1;m/b28-18-,38-21-,39-22-;

InChIKey: InChIKey=BQPDXUNHNBOSDN-MMPVIGGSDY
SMILES: [H][C@@]12[C@H](CC(N)=O)[C@@](C)(CCC(O)=O)C3=C(C)C4=[N]5C(=CC6=[N]7C(=C(C)C8=[N]([C@]1(C)[C@@](C)(CC(N)=O)[C@@H]8CCC(N)=O)[Co+]57N23)[C@@](C)(CC(N)=O)[C@@H]6CCC(N)=O)C(C)(C)[C@@H]4CCC(N)=O

CAS number 14708-92-0

Names:
    Cby
    CHEBI:23345
    Cobyric acid
    cobyric acid
    Cobyrinic acid-abcdeg-hexamide
    cobyrinic acid-abcdeg-hexamide
    cobyrinic a,b,c,d,e,g-hexaamide
    Factor V1a
    14708-92-0

Registries:
    PubChem CID 6857443
    Beilstein =4122664
    CAS 14708-92-0 (from NIST)
    ChEBI 23345
    PubChem ID 11533439