1.0 2010-04-08 22:07:50 UTC 2025-11-18 23:05:55 UTC FDB007913 Selenohomocystine Selenohomocystine is a member of the class of compounds known as alpha amino acids. Alpha amino acids are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Selenohomocystine is soluble (in water) and an extremely strong acidic compound (based on its pKa). Selenohomocystine can be found in garden onion, which makes selenohomocystine a potential biomarker for the consumption of this food product. C8H16N2O4Se2 362.168 363.944051 2-amino-4-[(3-amino-3-carboxypropyl)diselanyl]butanoic acid selenohomocystine NC(CC[Se][Se]CCC(N)C(O)=O)C(O)=O InChI=1S/C8H16N2O4Se2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14) NBQXBIDZPLKFHR-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Alpha amino acids Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic acyclic compounds Amino acids Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Diselenides Fatty acids and conjugates Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds Aliphatic acyclic compound Alpha-amino acid Amine Amino acid Carbonyl group Carboxylic acid Dicarboxylic acid or derivatives Diselenide group Fatty acid Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organoselenium compound Primary aliphatic amine Primary amine logp -3.85 ALOGPS logs -1.03 ALOGPS solubility 3.40e+01 g/l ALOGPS logp -7.4 ChemAxon pka_strongest_acidic 0.74 ChemAxon pka_strongest_basic 9.8 ChemAxon iupac 2-amino-4-[(3-amino-3-carboxypropyl)diselanyl]butanoic acid ChemAxon average_mass 362.168 ChemAxon mono_mass 363.944051 ChemAxon smiles NC(CC[Se][Se]CCC(N)C(O)=O)C(O)=O ChemAxon formula C8H16N2O4Se2 ChemAxon inchi InChI=1S/C8H16N2O4Se2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14) ChemAxon inchikey NBQXBIDZPLKFHR-UHFFFAOYSA-N ChemAxon polar_surface_area 126.64 ChemAxon refractivity 75.02 ChemAxon polarizability 24.33 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 8 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 51537 Specdb::MsMs 51538 Specdb::MsMs 51539 Specdb::MsMs 162996 Specdb::MsMs 162997 Specdb::MsMs 162998 Specdb::MsMs 3604553 Specdb::MsMs 3604554 Specdb::MsMs 3604555 Specdb::MsMs 3604556 Specdb::MsMs 3604557 Specdb::MsMs 3604558 Garden onion Type 1 specific Allium cepa 4679