1.0 2010-04-08 22:04:36 UTC 2025-11-18 22:19:20 UTC FDB000534 S-Methylcysteine sulfoxide (s)c(s)s-s-methylcysteine sulfoxide, also known as methiin, (dl-ala)-isomer or kale anemia factor, is a member of the class of compounds known as alpha amino acids. Alpha amino acids are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon) (s)c(s)s-s-methylcysteine sulfoxide is soluble (in water) and a moderately acidic compound (based on its pKa). (s)c(s)s-s-methylcysteine sulfoxide can be found in brassicas, garden onion, and onion-family vegetables, which makes (s)c(s)s-s-methylcysteine sulfoxide a potential biomarker for the consumption of these food products. 3-(Methylsulfinyl)alanine, 9CI Methiin C4H9NO3S 151.184 151.030313849 2-amino-3-methanesulfinylpropanoic acid 2-amino-3-methanesulfinylpropanoic acid 32726-14-0 CS(=O)CC(N)C(O)=O InChI=1S/C4H9NO3S/c1-9(8)2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7) ZZLHPCSGGOGHFW-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). 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 Alpha-amino acid Amine Amino acid Carbonyl group Carboxylic acid Hydrocarbon derivative 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 liquid 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 2-amino-3-methanesulfinylpropanoic acid ChemAxon average_mass 151.184 ChemAxon mono_mass 151.030313849 ChemAxon smiles CS(=O)CC(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) ChemAxon inchikey ZZLHPCSGGOGHFW-UHFFFAOYSA-N ChemAxon polar_surface_area 80.39 ChemAxon refractivity 34.59 ChemAxon polarizability 14.06 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 15522 Specdb::NmrOneD 15523 Specdb::NmrOneD 15524 Specdb::NmrOneD 15525 Specdb::NmrOneD 15526 Specdb::NmrOneD 15527 Specdb::NmrOneD 15528 Specdb::NmrOneD 15529 Specdb::NmrOneD 15530 Specdb::NmrOneD 15531 Specdb::NmrOneD 15532 Specdb::NmrOneD 15533 Specdb::NmrOneD 15534 Specdb::NmrOneD 15535 Specdb::NmrOneD 15536 Specdb::NmrOneD 15537 Specdb::NmrOneD 15538 Specdb::NmrOneD 15539 Specdb::NmrOneD 15540 Specdb::NmrOneD 15541 Specdb::CMs 23206 Specdb::CMs 41352 Specdb::CMs 122801 Specdb::CMs 127822 Specdb::CMs 130132 Specdb::CMs 154775 Specdb::CMs 933925 Specdb::CMs 933926 Specdb::MsMs 12806 Specdb::MsMs 12807 Specdb::MsMs 12808 Specdb::MsMs 19478 Specdb::MsMs 19479 Specdb::MsMs 19480 Specdb::MsMs 2269195 Specdb::MsMs 2269196 Specdb::MsMs 2269197 Specdb::MsMs 3073254 Specdb::MsMs 3073255 Specdb::MsMs 3073256 HMDB0029432 Cabbage Type 1 specific Brassica oleracea var. capitata 3716 Garden onion Type 1 specific Allium cepa 4679 Soft-necked garlic Type 1 specific Allium sativum L. var. sativum 4682 White cabbage Type 1 specific Brassica oleracea L. var. capitata L. f. alba DC. Anti hypercholesterolemic 342 Anti-diabetic 228 Any substance introduced into a living organism with therapeutic or diagnostic purpose.