2-Methylsulfinyladenylcobamide
[CAS# 107688-04-0]

Identification

• Name: 2-Methylsulfinyladenylcobamide
• Synonyms: Cobinamide, Co-(Cyano-Kappac)-, Dihydrogen Phosphate (Ester), Inner Salt, 3'-Ester With (2-(Methylsulfinyl)-7-Alpha-D-Ribofuranosyl-7H-Purin-6-Amine-Kappan9); Cobinamide, Cyanide Hydroxide, Dihydrogen Phosphate (Ester), Inner Salt, 3'-Ester With 2-(Methylsulfinyl)-7-Alpha-D-Ribofuranosyl-7H-Purin-6-Amine; Vitamin B 12 Factor Y
• Molecular Formula: C₆₀H₈₅CoN₁₇O₁₅PS
• Molecular Weight: 1406.40
• CAS Registry Number: 107688-04-0
• SMILES: [Co+3].N1=C6C(C(C1(C2N=C(C(C2CC(=O)N)(CCC(=O)NCC(O[P](OC3C(O)C(OC3CO)[N]4C5=C(N=C4)N=C([S](=O)C)N=C5N)([O-])=O)C)C)C(=C8[N-]C(=CC7=NC(=C6C)C(C7CCC(=O)N)(CC(=O)N)C)C(C8CCC(=O)N)(C)C)C)C)(CC(=O)N)C)CCC(=O)N.N#[C-]
• InChI: 1S/C59H87N16O15PS.CN.Co/c1-26(89-91(85,86)90-47-34(24-76)88-53(46(47)84)75-25-68-52-45(75)51(66)72-54(73-52)92(10)87)23-67-42(83)17-18-56(6)32(19-39(63)80)50-59(9)58(8,22-41(65)82)31(13-16-38(62)79)44(74-59)28(3)49-57(7,21-40(64)81)29(11-14-36(60)77)33(69-49)20-35-55(4,5)30(12-15-37(61)78)43(70-35)27(2)48(56)71-50;1-2;/h20,25-26,29-32,34,46-47,50,53,76,84H,11-19,21-24H2,1-10H3,(H17,60,61,62,63,64,65,66,67,69,70,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;-1;+3/p-2
• InChIKey: FYUCRBFCWHKYQY-UHFFFAOYSA-L