1.0 2010-04-08 22:05:54 UTC 2025-11-18 22:53:37 UTC FDB003687 S-Methyl-L-cysteine sulfoxide S-methyl-l-cysteine sulfoxide, also known as methiin, (l-ala)-(R)-isomer or kale anemia factor, 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-methyl-l-cysteine sulfoxide is soluble (in water) and a moderately acidic compound (based on its pKa). S-methyl-l-cysteine sulfoxide can be found in radish and soft-necked garlic, which makes S-methyl-l-cysteine sulfoxide a potential biomarker for the consumption of these food products. C4H9NO3S 151.184 151.030313849 (2R)-2-amino-3-methanesulfinylpropanoic acid (2R)-2-amino-3-methanesulfinylpropanoic acid CS(=O)C[C@H](N)C(O)=O InChI=1S/C4H9NO3S/c1-9(8)2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-,9?/m0/s1 ZZLHPCSGGOGHFW-BUKSALPDSA-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 Sulfinyl compounds Sulfoxides Aliphatic acyclic compound Amine Amino acid Carbonyl group Carboxylic acid 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 Sulfinyl compound Sulfoxide logp -2.56 ALOGPS logs -0.48 ALOGPS solubility 5.04e+01 g/l ALOGPS logp -4.6 ChemAxon pka_strongest_acidic 1.61 ChemAxon pka_strongest_basic 8.45 ChemAxon iupac (2R)-2-amino-3-methanesulfinylpropanoic acid ChemAxon average_mass 151.184 ChemAxon mono_mass 151.030313849 ChemAxon smiles CS(=O)C[C@H](N)C(O)=O ChemAxon formula C4H9NO3S ChemAxon inchi InChI=1S/C4H9NO3S/c1-9(8)2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-,9?/m0/s1 ChemAxon inchikey ZZLHPCSGGOGHFW-BUKSALPDSA-N ChemAxon polar_surface_area 80.39 ChemAxon refractivity 34.59 ChemAxon polarizability 14.05 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 78111 Specdb::MsMs 78112 Specdb::MsMs 78113 Specdb::MsMs 138378 Specdb::MsMs 138379 Specdb::MsMs 138380 Radish Type 1 specific Raphanus sativus 3726 Soft-necked garlic Type 1 specific Allium sativum L. var. sativum 4682 Hypocholesterolemic 1016 Lipolytic 1074