1.0 2010-04-08 22:07:49 UTC 2025-11-18 23:05:46 UTC FDB007883 gamma-L-Glutamyl-S-(1-propenyl)-cysteine sulfoxide Gamma-l-glutamyl-s-(1-propenyl)-cysteine sulfoxide is soluble (in water) and a moderately acidic compound (based on its pKa). Gamma-l-glutamyl-s-(1-propenyl)-cysteine sulfoxide can be found in garden onion, which makes gamma-l-glutamyl-s-(1-propenyl)-cysteine sulfoxide a potential biomarker for the consumption of this food product. C11H18N2O6S 306.335 306.088557008 (2S)-2-amino-4-{[(1R)-1-carboxy-2-[(1E)-prop-1-ene-1-sulfinyl]ethyl]carbamoyl}butanoic acid (2S)-2-amino-4-{[(1R)-1-carboxy-2-[(1E)-prop-1-ene-1-sulfinyl]ethyl]carbamoyl}butanoic acid C\C=C\S(=O)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O InChI=1S/C11H18N2O6S/c1-2-5-20(19)6-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h2,5,7-8H,3-4,6,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)/b5-2+/t7-,8-,20?/m0/s1 LMNDKWXDMBGGAL-DGLWNAOESA-N belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Dipeptides Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic acyclic compounds Amino acids Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Gamma-glutamyl amino acids Glutamine and derivatives Hydrocarbon derivatives L-alpha-amino acids Monoalkylamines N-acyl amines N-acyl-L-alpha-amino acids Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Sulfinyl compounds Sulfoxides Aliphatic acyclic compound Alpha-amino acid Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Carbonyl group Carboxamide group Carboxylic acid Dicarboxylic acid or derivatives Fatty acyl Fatty amide Gamma-glutamyl alpha-amino acid Glutamine or derivatives Hydrocarbon derivative L-alpha-amino acid N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-amine N-acyl-l-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Primary aliphatic amine Primary amine Secondary carboxylic acid amide Sulfinyl compound Sulfoxide logp -1.57 ALOGPS logs -1.45 ALOGPS solubility 1.09e+01 g/l ALOGPS logp -4.5 ChemAxon pka_strongest_acidic 1.45 ChemAxon pka_strongest_basic 9.11 ChemAxon iupac (2S)-2-amino-4-{[(1R)-1-carboxy-2-[(1E)-prop-1-ene-1-sulfinyl]ethyl]carbamoyl}butanoic acid ChemAxon average_mass 306.335 ChemAxon mono_mass 306.088557008 ChemAxon smiles C\C=C\S(=O)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O ChemAxon formula C11H18N2O6S ChemAxon inchi InChI=1S/C11H18N2O6S/c1-2-5-20(19)6-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h2,5,7-8H,3-4,6,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)/b5-2+/t7-,8-,20?/m0/s1 ChemAxon inchikey LMNDKWXDMBGGAL-DGLWNAOESA-N ChemAxon polar_surface_area 146.79 ChemAxon refractivity 72.05 ChemAxon polarizability 29.61 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 75075 Specdb::MsMs 75076 Specdb::MsMs 75077 Specdb::MsMs 134628 Specdb::MsMs 134629 Specdb::MsMs 134630 Specdb::MsMs 3604490 Specdb::MsMs 3604491 Specdb::MsMs 3604492 Specdb::MsMs 3604493 Specdb::MsMs 3604494 Specdb::MsMs 3604495 Garden onion Type 1 specific Allium cepa 4679