1.0 2010-04-08 22:14:38 UTC 2025-11-19 02:26:14 UTC FDB019871 Methionine sulfone 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. (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 C5H11NO4S 181.21 181.040878535 (2S)-2-amino-4-methanesulfonylbutanoic acid (2S)-2-amino-4-methanesulfonylbutanoic acid 7314-32-1 CS(=O)(=O)CC[C@H](N)C(O)=O 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 UCUNFLYVYCGDHP-BYPYZUCNSA-N belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. L-alpha-amino acids Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic acyclic compounds Amino acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Sulfones Thia fatty acids Aliphatic acyclic compound Amine Amino acid Carbonyl group Carboxylic acid Fatty acid Fatty acyl Hydrocarbon derivative L-alpha-amino acid Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Primary aliphatic amine Primary amine Sulfone Sulfonyl Thia fatty acid L-methionine derivative non-proteinogenic L-alpha-amino acid sulfone logp -3.17 ALOGPS logs -0.62 ALOGPS solubility 4.39e+01 g/l ALOGPS logp -4.5 ChemAxon pka_strongest_acidic 1.55 ChemAxon pka_strongest_basic 8.69 ChemAxon iupac (2S)-2-amino-4-methanesulfonylbutanoic acid ChemAxon average_mass 181.21 ChemAxon mono_mass 181.040878535 ChemAxon smiles CS(=O)(=O)CC[C@H](N)C(O)=O ChemAxon formula C5H11NO4S ChemAxon 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 ChemAxon inchikey UCUNFLYVYCGDHP-BYPYZUCNSA-N ChemAxon polar_surface_area 97.46 ChemAxon refractivity 39.1 ChemAxon polarizability 16.88 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 7936 Specdb::CMs 30105 Specdb::CMs 30605 Specdb::CMs 30795 Specdb::CMs 148630 Specdb::MsMs 256818 Specdb::MsMs 256819 Specdb::MsMs 256820 Specdb::MsMs 276759 Specdb::MsMs 276760 Specdb::MsMs 276761 Specdb::MsMs 439085 Specdb::MsMs 448036 Specdb::MsMs 2271111 Specdb::MsMs 2271112 Specdb::MsMs 2271113 Specdb::MsMs 3067112 Specdb::MsMs 3067113 Specdb::MsMs 3067114 Specdb::NmrOneD 65632 Specdb::NmrOneD 65633 Specdb::NmrOneD 65634 Specdb::NmrOneD 65635 Specdb::NmrOneD 65636 Specdb::NmrOneD 65637 Specdb::NmrOneD 65638 Specdb::NmrOneD 65639 Specdb::NmrOneD 65640 Specdb::NmrOneD 65641 Specdb::NmrOneD 65642 Specdb::NmrOneD 65643 Specdb::NmrOneD 65644 Specdb::NmrOneD 65645 Specdb::NmrOneD 65646 Specdb::NmrOneD 65647 Specdb::NmrOneD 65648 Specdb::NmrOneD 65649 Specdb::NmrOneD 65650 Specdb::NmrOneD 65651 Garden onion Type 1 specific Allium cepa 4679