L-Methionine Sulfone
PubChem CID: 445282
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| Compound Synonyms | L-Methionine sulfone, 7314-32-1, Methionine sulfone, (S)-2-Amino-4-(methylsulfonyl)butanoic acid, S-DIOXYMETHIONINE, L-2-Amino-4-(methylsulfonyl)butanoic acid, (S)-Amino-4-(methylsulphonyl)butyric acid, (2S)-2-amino-4-methylsulfonylbutanoic acid, L-Methionine, S,S-dioxide, V3Z9QH81BX, CHEBI:21363, EINECS 230-774-7, MFCD00066020, L-METHIONINE-S-DIOXIDE, (2S)-2-amino-4-(methylsulfonyl)butanoic acid, (2S)-2-azaniumyl-4-(methanesulfonyl)butanoate, methionine s,s-dioxide, METHIONINE IMPURITY B [EP IMPURITY], (2S)-2-amino-4-methylsulfonyl-butanoic acid, Butanoic acid, 2-amino-4-(methylsulfonyl)-, (2S)-, (2S)-2-Amino-4-(methylsulfonyl)butanoic Acid (L-Methionine Sulfone), L-METHIONINESULFONE, METHIONINE IMPURITY B (EP IMPURITY), DTXSID50875588, CHEBI:132188, EINECS 212-466-4, NSC 62968, 2-amino-4-(methanesulfonyl)butanoic acid, AI3-52410, (2S)-2-amino-4-methanesulfonylbutanoic acid, UNII-V3Z9QH81BX, SCHEMBL153635, CHEMBL442720, UCUNFLYVYCGDHP-BYPYZUCNSA-N, DTXCID401013709, AKOS006239561, DB03790, FM47694, HY-W097491, Methionine sulfone (H-L-Met(O2)-OH), AS-46950, (2S)-2-azaniumyl-4-methylsulfonylbutanoate, (S)-2-Amino-4-(methylsulfonyl)butanoicacid, CS-0150133, NS00080423, F11012, EN300-1168237, Q27103083, L-Met(O2)-OH, L-2-Amino-4-(methylsulfonyl)butanoic acid, 230-774-7 |
|---|---|
| Topological Polar Surface Area | 106.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 11.0 |
| Description | S-dioxymethionine, also known as (S)-amino-4-(methylsulphonyl)butyric acid or methionine sulfone, is a member of the class of compounds known as L-alpha-amino acids. L-alpha-amino acids are alpha amino acids which have the L-configuration of the alpha-carbon atom. S-dioxymethionine is soluble (in water) and a moderately acidic compound (based on its pKa). S-dioxymethionine can be found in garden onion, which makes S-dioxymethionine a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 227.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-amino-4-methylsulfonylbutanoic acid |
| Nih Violation | False |
| Class | Carboxylic acids and derivatives |
| Xlogp | -3.1 |
| Superclass | Organic acids and derivatives |
| Is Pains | False |
| Subclass | Amino acids, peptides, and analogues |
| Molecular Formula | C5H11NO4S |
| Inchi Key | UCUNFLYVYCGDHP-BYPYZUCNSA-N |
| Rotatable Bond Count | 4.0 |
| Synonyms | (2S)-2-Amino-4-methylsulfonylbutanoic acid, (S)-2-Amino-4-(methylsulfonyl)butanoic acid, (S)-2-Amino-4-methanesulfonyl-butyric acid, (S)-Amino-4-(methylsulphonyl)butyric acid, L-2-Amino-4-(methylsulfonyl)butanoic acid, L-Methionine sulfone, S-Dioxymethionine, S-DIOXYMETHIONINE, (S)-Amino-4-(methylsulfonyl)butyrate, (S)-Amino-4-(methylsulfonyl)butyric acid, (S)-Amino-4-(methylsulphonyl)butyrate, L-2-Amino-4-(methylsulfonyl)butanoate, L-2-Amino-4-(methylsulphonyl)butanoate, L-2-Amino-4-(methylsulphonyl)butanoic acid, Methionine sulphone, (2S)-2-Amino-4-methanesulfonylbutanoate, (2S)-2-Amino-4-methanesulphonylbutanoate, (2S)-2-Amino-4-methanesulphonylbutanoic acid, L-Methionine sulphone, (±)-methionine sulfone, 2-Amino-4-(methylsulfonyl)butanoic acid, DL-Methionine S,S-dioxide, DL-Methionine sulfone, (2S)-2-Amino-4-methanesulfonylbutanoic acid, (2S)-2-Azaniumyl-4-methylsulfonylbutanoate, (S)-Methionine sulfone, L-Methionine-S-dioxide |
| Compound Name | L-Methionine Sulfone |
| Kingdom | Organic compounds |
| Exact Mass | 181.041 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 181.041 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 181.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C5H11NO4S/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1 |
| Smiles | CS(=O)(=O)CC[C@@H](C(=O)O)N |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | L-alpha-amino acids |
- 1. Outgoing r'ship
FOUND_INto/from Allium Cepa (Plant) Rel Props:Source_db:fooddb_chem_all