Adenosylcobinamide methyl phosphate
Basic information
- CAS
147736-07-0- Standard SMILES
COP1(=O)OC(C)(CNC(=O)CCC2(C)/C3=C(\C)C4=N/C(=C\C5=NC(=C(/C)C6=NC(C)(C([N-]3)C2CC(N)=O)C(C)(CC(N)=O)C6CCC(N)=O)/C(C)(CC(N)=O)C5CCC(N)=O)C(C)(C)C4CCC(N)=O)O1.[CH2-]C1OC(n2cnc3c(N)ncnc32)C(O)C1O.[Co+3]- InChIKey
CGSLOOBHAHVNGB-UHFFFAOYSA-M- Molecular formula
- C59H85CoN16O14P+
- Average molar mass
- 1,332.3 g/mol
- Monoisotopic mass
- 1,331.550072
Names & identifiers
- Preferred name
- Adenosylcobinamide methyl phosphate
- IUPAC
- 2-(6-aminopurin-9-yl)-5-methanidyloxolane-3,4-diol;cobalt(3+);3-[(5Z,10Z,15Z)-2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-[(2-methoxy-4-methyl-2-oxo-1,3,2λ5-dioxaphosphetan-4-yl)methylamino]-3-oxopropyl]-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanamide
Names & synonyms
Adocbi-pmeAdenosylcobinamide methyl phosphateAdoCbi-PRefChem:109756Cobinamide, Co-(5'-deoxyadenosine-5') deriv, methyl hydrogen phosphate (ester), inner saltCobinamide, Co-(5'-deoxyadenosin-5'-yl)-, methyl hydrogen phosphate (ester), inner salt
Database identifiers
- CAS
147736-07-0- PubChem CID
- 6443671
Properties
Computed structural properties
- Topological polar surface area
- 490 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 23
- Rotatable bonds
- 22
- Heavy atoms
- 91
- Formal charge
- 1
- Complexity
- 2,910
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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