1.0 2010-04-08 22:08:12 UTC 2020-02-24 19:10:56 UTC FDB008678 gamma-Glutamyl-S-methylcysteine Constituent of many edible vegetable species. gamma-Glutamyl-S-methylcysteine is found in garden onion, soft-necked garlic, and lima bean. g-Glutamyl-S-methylcysteine C9H16N2O5S 264.299 264.077992322 2-amino-4-{[1-carboxy-2-(methylsulfanyl)ethyl]carbamoyl}butanoic acid 2-amino-4-{[1-carboxy-2-(methylsulfanyl)ethyl]carbamoyl}butanoic acid CSCC(NC(=O)CCC(N)C(O)=O)C(O)=O InChI=1S/C9H16N2O5S/c1-17-4-6(9(15)16)11-7(12)3-2-5(10)8(13)14/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16) UPCDLBPYWXOCOK-UHFFFAOYSA-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 Alpha amino acids Amino acids Carbonyl compounds Carboxylic acids Cysteine and derivatives Dialkylthioethers Dicarboxylic acids and derivatives Fatty acids and conjugates Gamma-glutamyl amino acids Glutamine and derivatives Hydrocarbon derivatives Monoalkylamines N-acyl amines N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Sulfenyl compounds 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 Cysteine or derivatives Dialkylthioether Dicarboxylic acid or derivatives Fatty acid Fatty acyl Fatty amide Gamma-glutamyl alpha-amino acid Glutamine or derivatives Hydrocarbon derivative N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-amine 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 Sulfenyl compound Thioether logp -3.00 ALOGPS logs -1.74 ALOGPS solubility 4.86e+00 g/l ALOGPS melting_point Mp 107-109° logp -3.4 ChemAxon pka_strongest_acidic 1.78 ChemAxon pka_strongest_basic 9.31 ChemAxon iupac 2-amino-4-{[1-carboxy-2-(methylsulfanyl)ethyl]carbamoyl}butanoic acid ChemAxon average_mass 264.299 ChemAxon mono_mass 264.077992322 ChemAxon smiles CSCC(NC(=O)CCC(N)C(O)=O)C(O)=O ChemAxon formula C9H16N2O5S ChemAxon inchi InChI=1S/C9H16N2O5S/c1-17-4-6(9(15)16)11-7(12)3-2-5(10)8(13)14/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16) ChemAxon inchikey UPCDLBPYWXOCOK-UHFFFAOYSA-N ChemAxon polar_surface_area 129.72 ChemAxon refractivity 60.96 ChemAxon polarizability 25.74 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20769 Specdb::CMs 42703 Specdb::CMs 165567 Specdb::MsMs 106995 Specdb::MsMs 106996 Specdb::MsMs 106997 Specdb::MsMs 173862 Specdb::MsMs 173863 Specdb::MsMs 173864 Specdb::MsMs 2256356 Specdb::MsMs 2258215 Specdb::MsMs 2440729 Specdb::MsMs 2440730 Specdb::MsMs 2440731 Specdb::MsMs 2525853 Specdb::MsMs 2525854 Specdb::MsMs 2525855 Specdb::NmrOneD 20262 Specdb::NmrOneD 20263 Specdb::NmrOneD 20264 Specdb::NmrOneD 20265 Specdb::NmrOneD 20266 Specdb::NmrOneD 20267 Specdb::NmrOneD 20268 Specdb::NmrOneD 20269 Specdb::NmrOneD 20270 Specdb::NmrOneD 20271 Specdb::NmrOneD 20272 Specdb::NmrOneD 20273 Specdb::NmrOneD 20274 Specdb::NmrOneD 20275 Specdb::NmrOneD 20276 Specdb::NmrOneD 20277 Specdb::NmrOneD 20278 Specdb::NmrOneD 20279 Specdb::NmrOneD 20280 Specdb::NmrOneD 20281 HMDB31985 #<Reference:0x000055ce31e09228> Garden onion Type 1 specific Allium cepa 4679 Lima bean Type 1 specific Phaseolus lunatus 3884 Soft-necked garlic Type 1 specific Allium sativum L. var. sativum 4682