Erythrotin

Vitamin B 12 A cobalt-containing coordination compound produced by intestinal micro-organisms and found also in soil and water. Higher plants do not concentrate vitamin B 12 from the soil and so are a poor source of the substance as compared with animal tissues.

Molecular Formula: C₆₃H₈₇CoN₁₄O₁₄P^-2

InChI: InChI=1/C62H88N13O14P.CN.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;1-2;/h20-21,23,28,31,34-37,41,52-53,57,76,84H,12-19,22,24-27H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86);;/q;-1;/p-1/b42-23-,54-32-,55-33-;;/fC62H87N13O14P.CN.Co/h69H,63-68H2;;/q-1;m;

InChIKey: InChIKey=FSTLTSJUPVXKBK-MITSHNDUDD
SMILES: CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5=NC4=C(C6=NC(=CC7=NC(=C(C8=NC5(C(C8CCC(=O)N)(C)CC(=O)N)C)C)C(C7CCC(=O)N)(C)CC(=O)N)C(C6CCC(=O)N)(C)C)C)CC(=O)N)C)O.[C-]#N.[Co]

Names:
    Biocobalamine
    Coobalamed
    Crystamine
    Cyanocobalamine
    cyanocobalamin
    Cykobeminet
    Dodecavite
    Duodecibin
    Emociclina
    Erythrotin

Registries:
    PubChem CID 6433145
    PubChem ID 149145