S-methylmethionine
PubChem CID: 458
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| Compound Synonyms | S-methylmethionine, 13065-25-3, (3-amino-3-carboxypropyl)-dimethylsulfanium, S**+-methylmethionine, S-Methyl-DL-methioninsulfonium, SCHEMBL76428, DTXSID00859813, CHEBI:232419, butanoic acid, 2-amino-4-dimethylsulfonio-, NS00126846, (3-Amino-3-carboxypropyl)(dimethyl)sulfanium, Q1329492, (3-Amino-3-carboxypropyl)dimethylsulfonium(1+), 9CI, 8CI |
|---|---|
| Topological Polar Surface Area | 64.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 10.0 |
| Description | Isolated from cabbage leaves and other fruits and vegetables [DFC]. S-Methyl-L-methionine is found in many foods, some of which are evergreen huckleberry, rose hip, potato, and black crowberry. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 116.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3-amino-3-carboxypropyl)-dimethylsulfanium |
| Prediction Hob | 1.0 |
| Class | Carboxylic acids and derivatives |
| Xlogp | -3.0 |
| Superclass | Organic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Molecular Formula | C6H14NO2S+ |
| Prediction Swissadme | 0.0 |
| Inchi Key | YDBYJHTYSHBBAU-UHFFFAOYSA-O |
| Fcsp3 | 0.8333333333333334 |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Synonyms | (3-amino-3-Carboxypropyl)dimethylsulfonium(1+), 9ci, 8ci, S-Methyl-L-methionine, S-Methylmethionine, Chloride, methionine methylsulfonium, Methionine methylsulfonium chloride, Methylmethionine, Methylmethionine sulfonium chloride, Methylsulfonium chloride, methionine, S Methylmethionine, Chloride, methylmethioninesulfonium, Sulfonium, ((3S)-3-amino-3-carboxypropyl)dimethyl-, inner salt, Methylmethioninesulfonium chloride, Vitamin u |
| Compound Name | S-methylmethionine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 164.075 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 164.075 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 164.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | 1.3145499999999999 |
| Inchi | InChI=1S/C6H13NO2S/c1-10(2)4-3-5(7)6(8)9/h5H,3-4,7H2,1-2H3/p+1 |
| Smiles | C[S+](C)CCC(C(=O)O)N |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Methionine and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Apium Graveolens (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Lycopersicon Esculentum (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Solanum Lycopersicum (Plant) Rel Props:Source_db:cmaup_ingredients