1.0 2016-09-30 22:40:39 UTC 2020-05-21 16:28:34 UTC BMDB0001066 BMDB01066 S-Lactoylglutathione S-D-Lactoylglutathione (R)-S-Lactoylglutathione D-Lactoylglutathione delta-Lactoylglutathione N-(N-L-gamma-Glutamyl-S-(2-hydroxy-1-oxopropyl)-L-cysteinyl)-glycine S-D-Lactoyl-glutathione S-delta-Lactoyl-glutathione S-delta-Lactoylglutathione S-Lactate glutathione S-Lactateglutathione S-Lactoyl-glutathione S-Lactylglutathione S-[(2R)-2-Hydroxypropanoyl]-gamma-L-glutamyl-L-cysteinylglycine C13H21N3O8S 379.386 379.104935353 (2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-{[(2R)-2-hydroxypropanoyl]sulfanyl}ethyl]carbamoyl}butanoic acid S-lactoylglutathione 25138-66-3 C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O InChI=1S/C13H21N3O8S/c1-6(17)13(24)25-5-8(11(21)15-4-10(19)20)16-9(18)3-2-7(14)12(22)23/h6-8,17H,2-5,14H2,1H3,(H,15,21)(H,16,18)(H,19,20)(H,22,23)/t6-,7+,8+/m1/s1 VDYDCVUWILIYQF-CSMHCCOUSA-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-(2-hydroxyacyl)glutathiones Secondary alcohols Secondary carboxylic acid amides Sulfenyl compounds Thioesters Alcohol 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-(2-hydroxyacyl)glutathione S-acylglutathione Secondary alcohol Secondary carboxylic acid amide Sulfenyl compound Thiocarboxylic acid ester Thiocarboxylic acid or derivatives Aliphatic acyclic compounds glutathione derivative Solid logp -2.88 ALOGPS logs -1.70 ALOGPS logp -5.4 ChemAxon pka_strongest_acidic 1.74 ChemAxon pka_strongest_basic 9.31 ChemAxon iupac (2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-{[(2R)-2-hydroxypropanoyl]sulfanyl}ethyl]carbamoyl}butanoic acid ChemAxon average_mass 379.386 ChemAxon mono_mass 379.104935353 ChemAxon smiles C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O ChemAxon formula C13H21N3O8S ChemAxon inchi InChI=1S/C13H21N3O8S/c1-6(17)13(24)25-5-8(11(21)15-4-10(19)20)16-9(18)3-2-7(14)12(22)23/h6-8,17H,2-5,14H2,1H3,(H,15,21)(H,16,18)(H,19,20)(H,22,23)/t6-,7+,8+/m1/s1 ChemAxon inchikey VDYDCVUWILIYQF-CSMHCCOUSA-N ChemAxon polar_surface_area 196.12 ChemAxon refractivity 84.78 ChemAxon polarizability 36.01 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 9 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Pyruvaldehyde Degradation SMP0087210 Pyruvate Metabolism SMP0087231 Specdb::CMs 2679 Specdb::CMs 37913 Specdb::CMs 175347 Specdb::NmrOneD 146230 Specdb::NmrOneD 146231 Specdb::NmrOneD 146232 Specdb::NmrOneD 146233 Specdb::NmrOneD 146234 Specdb::NmrOneD 146235 Specdb::NmrOneD 146236 Specdb::NmrOneD 146237 Specdb::NmrOneD 146238 Specdb::NmrOneD 146239 Specdb::NmrOneD 146240 Specdb::NmrOneD 146241 Specdb::NmrOneD 146242 Specdb::NmrOneD 146243 Specdb::NmrOneD 146244 Specdb::NmrOneD 146245 Specdb::NmrOneD 146246 Specdb::NmrOneD 146247 Specdb::NmrOneD 146248 Specdb::NmrOneD 146249 Specdb::MsMs 27680 Specdb::MsMs 27681 Specdb::MsMs 27682 Specdb::MsMs 34238 Specdb::MsMs 34239 Specdb::MsMs 34240 Specdb::MsMs 438036 Specdb::MsMs 438037 Specdb::MsMs 438038 Specdb::MsMs 438039 Specdb::MsMs 438040 Specdb::MsMs 439186 Specdb::MsMs 446430 Specdb::MsMs 446431 Specdb::MsMs 446432 Specdb::MsMs 446433 Specdb::MsMs 446434 Specdb::MsMs 447237 Specdb::MsMs 448134 Specdb::MsMs 2832237 Specdb::MsMs 2832238 Specdb::MsMs 2832239 Specdb::MsMs 2850289 Specdb::MsMs 2850290 Specdb::MsMs 2850291 C03451 FDB022405 389032 440018 15694 S-LACTOYL-GLUTATHIONE C00019550 41876 5979 Liu, Yan; Hama, Hideki; Fujita, Yasuya; Kondo, Akihiko; Inoue, Yoshiharu; Kimura, Akira; Fukuda H. Production of S-lactoylglutathione by high activity whole cell biocatalysts prepared by permeabilization of recombinant Saccharomyces cerevisiae with alcohols. Biotechnol Bioeng. 1999 Jul 5;64(1):54-60. BMDBP03189 Lactoylglutathione lyase A4FUZ1 GLO1 Enzyme