Twelvmin

Molecular Formula: C₆₄H₉₂CoN₁₃O₁₆P^-2

InChI: InChI=1/C62H90N13O14P.C2H4O2.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(3)4;/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);1H3,(H,3,4);/p-2/t31u,34-,35u,36-,37u,41-,52-,53-,56?,57+,59-,60+,61+,62+;;/m1../s1/fC62H88N13O14P.C2H4O2.Co/h69H,63-68H2;3H;/q-2;;/b42-23-,54-32-,55-33-;;

InChIKey: InChIKey=JEINOAHBVLNVDD-QPVIRFPMDL
SMILES: CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)C(=C7C(C(C(=N7)C=C8C(C(C(=N8)C(=C4[N-]5)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.CC(=O)O.[Co]

Names:
    ACETATOCOBALAMIN
    Cobalamin, acetato- (6CI)
    Cobinamide, acetate (salt) hydroxide, dihydrogen phosphate (ester), inner salt, 3'-ester with 5,6-dimethyl-1-alpha-D-ribofuranosylbenzimidazole
    Co(Acetato-kappaO)cobinamide dihydrogen phosphate (ester), inner salt, 3'-ester with (5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole-kappaN3)
    EINECS 245-019-7
    Fresmin S
    Hydroxocobalamine acetate
    Hydroxocobalamin acetate
    Twelvmin
    22465-48-1

Registries:
    PubChem CID 11979383
    PubChem ID 173206