Cob(II)alamin

Molecular Formula: C₆₂H₈₈CoN₁₃O₁₄P

InChI: InChI=1/C62H90N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);/q;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;/m1./s1/fC62H88N13O14P.Co/h69H,63-68H2;/q-2;m/b42-23-,54-32-,55-33-;

InChIKey: InChIKey=ASARMUCNOOHMLO-QFKCERQADG
SMILES: [H][C@@]1(C)CNC(=O)CC[C@]2(C)[C@@H](CC(N)=O)[C@@]3([H])N4C2=C(C)C5=[N]6C(=CC7=[N]8C(=C(C)C9=[N]([C@]3(C)[C@@](C)(CC(N)=O)[C@@H]9CCC(N)=O)[Co+]468[N]%10=CN([C@H]%11O[C@H](CO)[C@@H](OP([O-])(=O)O1)[C@H]%11O)C%12=CC(C)=C(C)C=C%10%12)[C@@](C)(CC(N)=O)[C@@H]7CCC(N)=O)C(C)(C)[C@@H]5CCC(N)=O

CAS number 14463-33-3

Names:
    CHEBI:16304
    Cob(II)alamin
    cob(II)alamin
    Cob(II)alamin
    cob(II)alamin
    vitamin B-12r
    Vitamin B12r
    14463-33-3

Registries:
    PubChem CID 6857382
    CAS 14463-33-3 (from NIST)
    ChEBI 16304
    COMe MOL000033
    Gmelin 85117
    Kegg C00541
    PubChem ID 11533188
    PubChem ID 3822