Adenosylcobinamide Methyl Phosphate
[CAS# 147736-07-0]

Identification

• Name: Adenosylcobinamide Methyl Phosphate
• Synonyms: Adocbi-Pme; Cobinamide, Co-(5'-Deoxyadenosin-5'-Yl)-, Methyl Hydrogen Phosphate (Ester), Inner Salt; Cobinamide, Co-(5'-Deoxyadenosine-5') Deriv, Methyl Hydrogen Phosphate (Ester), Inner Salt
• Molecular Formula: C₅₉H₈₅CoN₁₆O₁₄P
• Molecular Weight: 1332.33
• CAS Registry Number: 147736-07-0
• SMILES: [Co+3].[P]1(OC(O1)(CNC(=O)CCC2(C(C4N=C2C(=C3N=C(C(C3CCC(=O)N)(C)C)C=C6N=C(C(=C5[N-]C4(C(C5CCC(=O)N)(CC(=O)N)C)C)C)C(C6CCC(=O)N)(CC(=O)N)C)C)CC(=O)N)C)C)(OC)=O.[CH2-]C9OC([N]8C7=NC=NC(=C7N=C8)N)C(O)C9O
• InChI: 1S/C49H74N11O11P.C10H12N5O3.Co/c1-24-39-27(12-15-33(51)62)44(3,4)31(58-39)20-30-26(11-14-32(50)61)46(6,21-36(54)65)42(57-30)25(2)40-28(13-16-34(52)63)47(7,22-37(55)66)49(9,60-40)43-29(19-35(53)64)45(5,41(24)59-43)18-17-38(67)56-23-48(8)70-72(68,69-10)71-48;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h20,26-29,43H,11-19,21-23H2,1-10H3,(H14,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;-1;+3/p-1
• InChIKey: CGSLOOBHAHVNGB-UHFFFAOYSA-M