1.0 2020-05-06 19:45:08 UTC 2020-05-07 14:45:33 UTC BMDB0109745 O-Phospho-DL-threonine C4H10NO6P 199.099 199.024574044 2-amino-3-(phosphonooxy)butanoic acid phosphonothreonine CC(OP(O)(O)=O)C(N)C(O)=O InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10) USRGIUJOYOXOQJ-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). Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Alpha amino acids Amino acids Carbonyl compounds Carboxylic acids Fatty acids and conjugates Hydrocarbon derivatives Monoalkyl phosphates Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Phosphoethanolamines Aliphatic acyclic compound Alkyl phosphate Alpha-amino acid Amine Amino acid Carbonyl group Carboxylic acid Fatty acid Hydrocarbon derivative Monoalkyl phosphate Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organonitrogen compound Organooxygen compound Organopnictogen compound Phosphoethanolamine Phosphoric acid ester Primary aliphatic amine Primary amine Aliphatic acyclic compounds alpha-amino acid logp -1.86 ALOGPS logs -0.93 ALOGPS logp -2.7 ChemAxon pka_strongest_acidic 1.21 ChemAxon pka_strongest_basic 9.47 ChemAxon iupac 2-amino-3-(phosphonooxy)butanoic acid ChemAxon average_mass 199.099 ChemAxon mono_mass 199.024574044 ChemAxon smiles CC(OP(O)(O)=O)C(N)C(O)=O ChemAxon formula C4H10NO6P ChemAxon inchi InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10) ChemAxon inchikey USRGIUJOYOXOQJ-UHFFFAOYSA-N ChemAxon polar_surface_area 130.08 ChemAxon refractivity 37.33 ChemAxon polarizability 15.53 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge -2 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 Liver 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 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 1016