1.0 2020-05-06 19:42:43 UTC 2020-05-07 14:45:09 UTC BMDB0109703 3-Hydroxynorvaline (2S)-2-Amino-3-hydroxypentanoate 3-Hydroxynorvaline 3-Hydroxynorvaline, threo-(DL)-isomer alpha-amino beta-Hydroxyvaleric acid b-Hydroxynorvaline Β-hydroxynorvaline beta-Hydroxynorvaline C5H11NO3 133.1457 133.073893223 (2S)-2-amino-3-hydroxypentanoic acid (2S)-2-amino-3-hydroxypentanoic acid [H][C@@](N)(C(O)=O)C([H])(O)CC InChI=1S/C5H11NO3/c1-2-3(7)4(6)5(8)9/h3-4,7H,2,6H2,1H3,(H,8,9)/t3?,4-/m0/s1 LGVJIYCMHMKTPB-BKLSDQPFSA-N belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues L-alpha-amino acids Amino acids Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Hydroxy fatty acids Methyl-branched fatty acids Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Short-chain hydroxy acids and derivatives Alcohol Aliphatic acyclic compound Amine Amino acid Beta-hydroxy acid Branched fatty acid Carbonyl group Carboxylic acid Fatty acid Fatty acyl Hydrocarbon derivative Hydroxy acid Hydroxy fatty acid L-alpha-amino acid Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Primary aliphatic amine Primary amine Secondary alcohol Short-chain hydroxy acid Aliphatic acyclic compounds logp -2.67 ALOGPS logs 0.39 ALOGPS logp -2.9 ChemAxon pka_strongest_acidic 2.34 ChemAxon pka_strongest_basic 8.99 ChemAxon iupac (2S)-2-amino-3-hydroxypentanoic acid ChemAxon average_mass 133.1457 ChemAxon mono_mass 133.073893223 ChemAxon smiles [H][C@@](N)(C(O)=O)C([H])(O)CC ChemAxon formula C5H11NO3 ChemAxon inchi InChI=1S/C5H11NO3/c1-2-3(7)4(6)5(8)9/h3-4,7H,2,6H2,1H3,(H,8,9)/t3?,4-/m0/s1 ChemAxon inchikey LGVJIYCMHMKTPB-BKLSDQPFSA-N ChemAxon polar_surface_area 83.55 ChemAxon refractivity 30.98 ChemAxon polarizability 13.15 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 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 1058 Specdb::CMs 1122 Mammary Gland 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under alfalfa hay based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 18660836