1.0 2016-09-30 23:22:46 UTC 2020-04-22 15:17:40 UTC BMDB0006512 BMDB06512 3-Mercaptolactate-cysteine disulfide 3-Mercaptolactate-cysteine disulphide 3-Mercaptolactic acid-cysteine disulfide 3-Mercaptolactic acid-cysteine disulphide S-(2-Hydroxy-2-carboxyethylthio)cysteine beta-Mercaptolactate cysteine disulfide 3-((2-Carboxy-2-hydroxyethyl)dithio)-L-alanine Hcetc 3-{[(2R)-2-amino-2-carboxyethyl]disulfanyl}-2-hydroxypropanoate 3-{[(2R)-2-amino-2-carboxyethyl]disulphanyl}-2-hydroxypropanoate 3-{[(2R)-2-amino-2-carboxyethyl]disulphanyl}-2-hydroxypropanoic acid 3-Mercaptolactate-cysteine disulfide C6H11NO5S2 241.285 241.007863847 3-{[(2R)-2-amino-2-carboxyethyl]disulfanyl}-2-hydroxypropanoic acid hcetc 18841-42-4 N[C@@H](CSSCC(O)C(O)=O)C(O)=O InChI=1S/C6H11NO5S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4,8H,1-2,7H2,(H,9,10)(H,11,12)/t3-,4?/m0/s1 MAFDYIDMXCXBRB-WUCPZUCCSA-N belongs to the class of organic compounds known as l-cysteine-s-conjugates. L-cysteine-S-conjugates are compounds containing L-cysteine where the thio-group is conjugated. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues L-cysteine-S-conjugates Alpha hydroxy acids and derivatives Amino acids Carbonyl compounds Carboxylic acids Dialkyldisulfides Dicarboxylic acids and derivatives Hydrocarbon derivatives L-alpha-amino acids Monoalkylamines Monosaccharides Organic oxides Organopnictogen compounds Secondary alcohols Sulfenyl compounds Alcohol Aliphatic acyclic compound Alpha-amino acid Alpha-hydroxy acid Amine Amino acid Carbonyl group Carboxylic acid Dialkyldisulfide Dicarboxylic acid or derivatives Hydrocarbon derivative Hydroxy acid L-alpha-amino acid L-cysteine-s-conjugate Monosaccharide Organic disulfide Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Primary aliphatic amine Primary amine Secondary alcohol Sulfenyl compound Aliphatic acyclic compounds Solid logp -3.08 ALOGPS logs -0.93 ALOGPS logp -3.6 ChemAxon pka_strongest_acidic 1.68 ChemAxon pka_strongest_basic 9.04 ChemAxon iupac 3-{[(2R)-2-amino-2-carboxyethyl]disulfanyl}-2-hydroxypropanoic acid ChemAxon average_mass 241.285 ChemAxon mono_mass 241.007863847 ChemAxon smiles N[C@@H](CSSCC(O)C(O)=O)C(O)=O ChemAxon formula C6H11NO5S2 ChemAxon inchi InChI=1S/C6H11NO5S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4,8H,1-2,7H2,(H,9,10)(H,11,12)/t3-,4?/m0/s1 ChemAxon inchikey MAFDYIDMXCXBRB-WUCPZUCCSA-N ChemAxon polar_surface_area 120.85 ChemAxon refractivity 53.21 ChemAxon polarizability 22.11 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 6 ChemAxon donor_count 4 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 17107 Specdb::CMs 39032 Specdb::CMs 151961 Specdb::MsMs 67623 Specdb::MsMs 67624 Specdb::MsMs 67625 Specdb::MsMs 125481 Specdb::MsMs 125482 Specdb::MsMs 125483 Specdb::MsMs 2280541 Specdb::MsMs 2280542 Specdb::MsMs 2280543 Specdb::MsMs 3084637 Specdb::MsMs 3084638 Specdb::MsMs 3084639 Specdb::NmrOneD 74692 Specdb::NmrOneD 74693 Specdb::NmrOneD 74694 Specdb::NmrOneD 74695 Specdb::NmrOneD 74696 Specdb::NmrOneD 74697 Specdb::NmrOneD 74698 Specdb::NmrOneD 74699 Specdb::NmrOneD 74700 Specdb::NmrOneD 74701 Specdb::NmrOneD 74702 Specdb::NmrOneD 74703 Specdb::NmrOneD 74704 Specdb::NmrOneD 74705 Specdb::NmrOneD 74706 Specdb::NmrOneD 74707 Specdb::NmrOneD 74708 Specdb::NmrOneD 74709 Specdb::NmrOneD 74710 Specdb::NmrOneD 74711 167948 FDB023951 193536 140723 2742951 Kobayashi, Kanji; Ikegami, Takuma; Ubuka, Toshihiko. New metabolites of cystine. II. Chemical and biochemical properties of S-(2-oxo-2-carboxyethylthio)cysteine. Physiological Chemistry and Physics (1973), 5(2), 167-71.