1.0 2010-04-08 22:14:19 UTC 2019-11-26 03:17:26 UTC FDB019375 gamma-Glutamylcysteinylserine Constituent of many grasses including Triticum aestivum (wheat). gamma-Glutamylcysteinylserine is found in wheat and cereals and cereal products. C11H19N3O7S 337.349 337.094370667 2-amino-4-({1-[(1-carboxy-2-hydroxyethyl)carbamoyl]-2-sulfanylethyl}carbamoyl)butanoic acid 2-amino-4-({1-[(1-carboxy-2-hydroxyethyl)carbamoyl]-2-sulfanylethyl}carbamoyl)butanoic acid 144331-30-6 NC(CCC(=O)NC(CS)C(=O)NC(CO)C(O)=O)C(O)=O InChI=1S/C11H19N3O7S/c12-5(10(18)19)1-2-8(16)13-7(4-22)9(17)14-6(3-15)11(20)21/h5-7,15,22H,1-4,12H2,(H,13,16)(H,14,17)(H,18,19)(H,20,21) QWHVIVGONDEFNH-UHFFFAOYSA-N belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. Peptides Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic acyclic compounds Alkylthiols Alpha amino acids Amino acids Beta hydroxy acids and derivatives Carbonyl compounds Carboximidic acids Carboxylic acids Dicarboxylic acids and derivatives Fatty acids and conjugates Hydrocarbon derivatives Monoalkylamines N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Primary alcohols Propargyl-type 1,3-dipolar organic compounds Serine and derivatives Alcohol Aliphatic acyclic compound Alkylthiol Alpha peptide Alpha-amino acid Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Beta-hydroxy acid Carbonyl group Carboximidic acid Carboximidic acid derivative Carboxylic acid Dicarboxylic acid or derivatives Fatty acid Hydrocarbon derivative Hydroxy acid N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Primary alcohol Primary aliphatic amine Primary amine Propargyl-type 1,3-dipolar organic compound Serine or derivatives logp -2.99 ALOGPS logs -2.46 ALOGPS solubility 1.17e+00 g/l ALOGPS logp -5.4 ChemAxon pka_strongest_acidic 1.93 ChemAxon pka_strongest_basic 9.22 ChemAxon iupac 2-amino-4-({1-[(1-carboxy-2-hydroxyethyl)carbamoyl]-2-sulfanylethyl}carbamoyl)butanoic acid ChemAxon average_mass 337.349 ChemAxon mono_mass 337.094370667 ChemAxon smiles NC(CCC(=O)NC(CS)C(=O)NC(CO)C(O)=O)C(O)=O ChemAxon formula C11H19N3O7S ChemAxon inchi InChI=1S/C11H19N3O7S/c12-5(10(18)19)1-2-8(16)13-7(4-22)9(17)14-6(3-15)11(20)21/h5-7,15,22H,1-4,12H2,(H,13,16)(H,14,17)(H,18,19)(H,20,21) ChemAxon inchikey QWHVIVGONDEFNH-UHFFFAOYSA-N ChemAxon polar_surface_area 179.05 ChemAxon refractivity 75.15 ChemAxon polarizability 31.48 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 8 ChemAxon donor_count 7 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 12161 Specdb::MsMs 12162 Specdb::MsMs 12163 Specdb::MsMs 18833 Specdb::MsMs 18834 Specdb::MsMs 18835 Specdb::MsMs 2402795 Specdb::MsMs 2402796 Specdb::MsMs 2402797 Specdb::MsMs 2532993 Specdb::MsMs 2532994 Specdb::MsMs 2532995 Specdb::CMs 20651 Specdb::CMs 46544 Specdb::CMs 164893 Specdb::NmrOneD 35662 Specdb::NmrOneD 35663 Specdb::NmrOneD 35664 Specdb::NmrOneD 35665 Specdb::NmrOneD 35666 Specdb::NmrOneD 35667 Specdb::NmrOneD 35668 Specdb::NmrOneD 35669 Specdb::NmrOneD 35670 Specdb::NmrOneD 35671 Specdb::NmrOneD 35672 Specdb::NmrOneD 35673 Specdb::NmrOneD 35674 Specdb::NmrOneD 35675 Specdb::NmrOneD 35676 Specdb::NmrOneD 35677 Specdb::NmrOneD 35678 Specdb::NmrOneD 35679 Specdb::NmrOneD 35680 Specdb::NmrOneD 35681 HMDB39733 #<Reference:0x000055ce3058d208> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Wheat Type 1 specific Triticum 4564