Basic information
- CAS
13065-25-3- Standard SMILES
C[S+](C)CCC(N)C(=O)O- InChIKey
YDBYJHTYSHBBAU-UHFFFAOYSA-O- Molecular formula
- C6H14NO2S+
- Average molar mass
- 164.25 g/mol
- Monoisotopic mass
- 164.07452486
Overview
S-methylmethionine is a methionine derivative.
Names & identifiers
- Preferred name
- (3-Amino-3-carboxypropyl)(dimethyl)sulfanium
- IUPAC
- (3-amino-3-carboxypropyl)-dimethylsulfanium
- English name
- S-Methylmethionine
- Molecular weight
- 0
Names & synonyms
DTXSID00859813(3-Amino-3-carboxypropyl)(dimethyl)sulfaniumRefChem:1050081DTXCID8019716413065-25-3(3-amino-3-carboxypropyl)-dimethylsulfaniumS**+-methylmethionine2766-51-0S-Methyl-DL-methioninsulfoniumCHEMBL540394SCHEMBL76428CHEBI:232419
Show more names
S-MethylmethionineMethylmethionine sulfonium(3-Amino-3-carboxypropyl)dimethylsulfoniumDimethyl(3-amino-4-oxo-4-hydroxybutyl)sulfonium(3-Amino-4-hydroxy-4-oxobutyl)dimethylsulfonium
BDBM50291713butanoic acid, 2-amino-4-dimethylsulfonio-NS00126846(3-Amino-3-carboxypropyl)di(methyl)sulfanium((S)-3-Amino-3-carboxy-propyl)-dimethyl-sulfoniumQ1329492(3-Amino-3-carboxypropyl)dimethylsulfonium(1+), 9CI, 8CI
Database identifiers
- CAS
13065-25-3- PubChem CID
- 458
- DTXSID
DTXSID00859813- ChEMBL
CHEMBL540394
Properties
Computed structural properties
- XLogP
- -3
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 1
- Complexity
- 116
Experimental & physicochemical properties
Melting Point139 °C (decomposition)
Physical DescriptionSolid
Physicochemical properties
- FDA UNII
- 417 CIJ6KXC · 417CIJ6KXC
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Suppliers1 total
上海吉奉生物科技有限公司021-61263377 15023907684 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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