Basic information
- Standard SMILES
C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O- InChIKey
MEFKEPWMEQBLKI-UHFFFAOYSA-O- Molecular formula
- C15H23N6O5S+
- Average molar mass
- 399.4 g/mol
- Monoisotopic mass
- 399.14506403
Overview
S-(5'-Adenosyl)-L-methionine (SAM) is a nucleobase-containing molecular entity.
Names & identifiers
- Preferred name
- (3-Amino-3-carboxypropyl)((5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methyl)methylsulfanium
- IUPAC
- (3-amino-3-carboxypropyl)-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium
Names & synonyms
DTXSID50860318(3-Amino-3-carboxypropyl)((5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methyl)methylsulfanium(3-Amino-3-carboxypropyl){[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}methylsulfaniumRefChem:1050080DTXCID20196818(+)-[6]-Gingerol; (S)-(+)-[6]Gingerol; (S)-[6]GingerolSCHEMBL7810282CHEMBL3560400CHEBI:194378S-(5'-Adenosyl)-L-methionine (SAM)NS00014313(3-amino-3-carboxypropyl)-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulanium
Show more names
(3-Amino-3-carboxypropyl){[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}(methyl)sulfanium
Database identifiers
- PubChem CID
- 1079
- DTXSID
DTXSID50860318- ChEMBL
CHEMBL3560400- ChEBI
CHEBI:194378- Nikkaji
- J699.275G
Properties
Computed structural properties
- XLogP
- -3.5
- Topological polar surface area
- 184 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 1
- Complexity
- 533
Experimental & physicochemical properties
DrugsPharmaceuticals
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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