Cysteinylcobalamin
[CAS# 60659-91-8]

Identification

• Name: Cysteinylcobalamin
• Synonyms: Cysteinylcobalamin
• Molecular Formula: C₆₅H₉₄CoN₁₄O₁₆PS
• Molecular Weight: 1449.51
• CAS Registry Number: 60659-91-8
• SMILES: [Co+3].N1=C7C(C(C1(C2N=C(C(C2CC(=O)N)(CCC(=O)NCC(O[P](OC3C(O)C(OC3CO)[N]5C4=CC(=C(C=C4N=C5)C)C)([O-])=O)C)C)C(=C6N=C(C(C6CCC(=O)N)(C)C)[CH-]C8=NC(=C7C)C(C8CCC(=O)N)(CC(=O)N)C)C)C)(CC(=O)N)C)CCC(=O)N.C([S-])C(N)C(=O)O
• InChI: 1S/C62H89N13O14P.C3H7NO2S.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;4-2(1-7)3(5)6;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,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);2,7H,1,4H2,(H,5,6);/q-1;;+3/p-2
• InChIKey: GBNJRRYEXGYOFQ-UHFFFAOYSA-L