1.0 2016-09-30 22:47:33 UTC 2020-04-22 15:08:40 UTC BMDB0001550 BMDB01550 S-Formylglutathione N-(S-(Formyl-N-L-gamma-glutamyl)-L-cysteinyl)glycine N-(S-(Formyl-N-L-g-glutamyl)-L-cysteinyl)glycine N-(S-(Formyl-N-L-γ-glutamyl)-L-cysteinyl)glycine L-gamma-Glutamyl-S-formyl-L-cysteinylglycine L-γ-Glutamyl-S-formyl-L-cysteinylglycine S-Formylglutathione C11H17N3O7S 335.334 335.078720603 (2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-(formylsulfanyl)ethyl]carbamoyl}butanoic acid S-formylglutathione 50409-81-9 N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)NCC(O)=O)C(O)=O InChI=1S/C11H17N3O7S/c12-6(11(20)21)1-2-8(16)14-7(4-22-5-15)10(19)13-3-9(17)18/h5-7H,1-4,12H2,(H,13,19)(H,14,16)(H,17,18)(H,20,21)/t6-,7-/m0/s1 FHXAGOICBFGEBF-BQBZGAKWSA-N belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Oligopeptides Alpha amino acid amides Amino acids Carbonyl compounds Carbothioic S-esters Carboxylic acids Cysteine and derivatives Dicarboxylic acids and derivatives Fatty acids and conjugates Gamma-glutamyl peptides Glutamine and derivatives Hydrocarbon derivatives L-alpha-amino acids Monoalkylamines N-acyl amines N-acyl-alpha amino acids Organic oxides Organopnictogen compounds S-acylglutathiones Secondary carboxylic acid amides Sulfenyl compounds Thioesters Aliphatic acyclic compound Alpha-amino acid Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-oligopeptide Amine Amino acid Amino acid or derivatives Carbonyl group Carbothioic s-ester Carboxamide group Carboxylic acid Cysteine or derivatives Dicarboxylic acid or derivatives Fatty acid Fatty acyl Fatty amide Gamma-glutamyl alpha peptide 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-substituted-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Primary aliphatic amine Primary amine S-acylglutathione Secondary carboxylic acid amide Sulfenyl compound Thiocarboxylic acid ester Thiocarboxylic acid or derivatives Aliphatic acyclic compounds S-acylglutathione Solid logp -2.87 ALOGPS logs -1.97 ALOGPS logp -5.1 ChemAxon pka_strongest_acidic 1.76 ChemAxon pka_strongest_basic 9.31 ChemAxon iupac (2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-(formylsulfanyl)ethyl]carbamoyl}butanoic acid ChemAxon average_mass 335.334 ChemAxon mono_mass 335.078720603 ChemAxon smiles N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)NCC(O)=O)C(O)=O ChemAxon formula C11H17N3O7S ChemAxon inchi InChI=1S/C11H17N3O7S/c12-6(11(20)21)1-2-8(16)14-7(4-22-5-15)10(19)13-3-9(17)18/h5-7H,1-4,12H2,(H,13,19)(H,14,16)(H,17,18)(H,20,21)/t6-,7-/m0/s1 ChemAxon inchikey FHXAGOICBFGEBF-BQBZGAKWSA-N ChemAxon polar_surface_area 175.89 ChemAxon refractivity 74.09 ChemAxon polarizability 31.17 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 3201 Specdb::CMs 38121 Specdb::CMs 156433 Specdb::MsMs 29564 Specdb::MsMs 29565 Specdb::MsMs 29566 Specdb::MsMs 36122 Specdb::MsMs 36123 Specdb::MsMs 36124 Specdb::MsMs 3042139 Specdb::MsMs 3042140 Specdb::MsMs 3042141 Specdb::MsMs 3098419 Specdb::MsMs 3098420 Specdb::MsMs 3098421 Specdb::NmrOneD 296015 Specdb::NmrOneD 296016 Specdb::NmrOneD 296017 Specdb::NmrOneD 296018 Specdb::NmrOneD 296019 Specdb::NmrOneD 296020 Specdb::NmrOneD 296021 Specdb::NmrOneD 296022 Specdb::NmrOneD 296023 Specdb::NmrOneD 296024 Specdb::NmrOneD 296025 Specdb::NmrOneD 296026 Specdb::NmrOneD 296027 Specdb::NmrOneD 296028 Specdb::NmrOneD 296029 Specdb::NmrOneD 296030 Specdb::NmrOneD 296031 Specdb::NmrOneD 296032 Specdb::NmrOneD 296033 Specdb::NmrOneD 296034 C01031 FDB022685 189122 164320 16225 CPD-548 1485290 3469 BMDBP00117 S-formylglutathione hydrolase Q08E20 ESD Enzyme