1.0 2010-04-08 22:07:43 UTC 2025-11-18 23:05:11 UTC FDB007661 Cystathione Cystathione, also known as dl-cystathionine, belongs to cysteine and derivatives class of compounds. Those are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Cystathione is soluble (in water) and a moderately acidic compound (based on its pKa). Cystathione can be found in corn, which makes cystathione a potential biomarker for the consumption of this food product. Cystathione may be a unique E.coli metabolite. C7H14N2O4S 222.262 222.067427636 2-amino-4-[(2-amino-2-carboxyethyl)sulfanyl]butanoic acid cystathionine 535-34-2 NC(CCSCC(N)C(O)=O)C(O)=O InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13) ILRYLPWNYFXEMH-UHFFFAOYSA-N belongs to the class of organic compounds known as cysteine and derivatives. Cysteine and derivatives are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Cysteine and derivatives 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 Dialkylthioethers Dicarboxylic acids and derivatives Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds Sulfenyl compounds Thia fatty acids Aliphatic acyclic compound Alpha-amino acid Amine Amino acid Carbonyl group Carboxylic acid Cysteine or derivatives Dialkylthioether Dicarboxylic acid or derivatives Fatty acid Fatty acyl Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Primary aliphatic amine Primary amine Sulfenyl compound Thia fatty acid Thioether cystathionines logp -4.01 ALOGPS logs -1.11 ALOGPS solubility 1.73e+01 g/l ALOGPS logp -5.8 ChemAxon pka_strongest_acidic 1.79 ChemAxon pka_strongest_basic 9.66 ChemAxon iupac 2-amino-4-[(2-amino-2-carboxyethyl)sulfanyl]butanoic acid ChemAxon average_mass 222.262 ChemAxon mono_mass 222.067427636 ChemAxon smiles NC(CCSCC(N)C(O)=O)C(O)=O ChemAxon formula C7H14N2O4S ChemAxon inchi InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13) ChemAxon inchikey ILRYLPWNYFXEMH-UHFFFAOYSA-N ChemAxon polar_surface_area 126.64 ChemAxon refractivity 51.57 ChemAxon polarizability 22.07 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 21275 Specdb::MsMs 21276 Specdb::MsMs 21277 Specdb::MsMs 22826 Specdb::MsMs 22827 Specdb::MsMs 22828 Specdb::MsMs 3604211 Specdb::MsMs 3604212 Specdb::MsMs 3604213 Specdb::MsMs 3605434 Specdb::MsMs 3605435 Specdb::MsMs 3605436 Corn Type 1 specific Zea mays 4577