S-Methyl-L-methionine
PubChem CID: 10197842
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| Compound Synonyms | Methylmethionine, Vitamin U, S-methyl-L-methioninate, S-Methyl-L-methionine, 4727-40-6, Methyl sulfonium methionine, Cu Vita-U, Methionine, methyl sulfonium, S-Methylmethionine sulfonium salt, S-methylmethionine, (2S)-2-amino-4-dimethylsulfoniobutanoate, UNII-3485Y39925, CHEBI:67050, Sulfonium, ((3S)-3-amino-3-carboxypropyl)dimethyl-, inner salt, 3485Y39925, Sulfonium, (3-amino-3-carboxypropyl)dimethyl-, inner salt, (S)-, (2S)-2-amino-4-(dimethylsulfonio)butanoate, VITAMIN U [WHO-DD], S-METHYLMETHIONINE ION, SCHEMBL398004, S-METHYLMETHIONINE [MI], CHEMBL2074824, DTXSID401314761 |
|---|---|
| Topological Polar Surface Area | 67.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 111.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | O76082 |
| Iupac Name | (2S)-2-amino-4-dimethylsulfoniobutanoate |
| Prediction Hob | 1.0 |
| Xlogp | -1.7 |
| Molecular Formula | C6H13NO2S |
| Prediction Swissadme | 0.0 |
| Inchi Key | YDBYJHTYSHBBAU-YFKPBYRVSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -0.077 |
| Rotatable Bond Count | 3.0 |
| Logd | -2.611 |
| Compound Name | S-Methyl-L-methionine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 163.067 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 163.067 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 163.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.3316995999999999 |
| Inchi | InChI=1S/C6H13NO2S/c1-10(2)4-3-5(7)6(8)9/h5H,3-4,7H2,1-2H3/t5-/m0/s1 |
| Smiles | C[S+](C)CC[C@@H](C(=O)[O-])N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hordeum Vulgare (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all