1.0 2020-05-06 19:44:16 UTC 2020-05-07 14:45:23 UTC BMDB0109730 Glucosaminic acid (3R,4S,5R)-3,4,5,6-Tetrahydroxy-D-norleucine 2-Amino-2-deoxy-D-gluconate D-Glucosaminate D-Glucosaminic acid Glucosaminate Glucosaminic acid 2-amino-2-Deoxygluconic acid Glucosaminic acid, (D)-isomer 2-Amino-2-deoxy-D-gluconic acid C6H13NO6 195.1705 195.074287153 (2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoic acid (2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoic acid 3646-68-2 [H][C@](N)(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)CO InChI=1S/C6H13NO6/c7-3(6(12)13)5(11)4(10)2(9)1-8/h2-5,8-11H,1,7H2,(H,12,13)/t2-,3-,4-,5-/m1/s1 UFYKDFXCZBTLOO-TXICZTDVSA-N belongs to the class of organic compounds known as d-alpha-amino acids. These are alpha amino acids which have the D-configuration of the alpha-carbon atom. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues D-alpha-amino acids 1,3-aminoalcohols Amino acids Amino fatty acids Aminosaccharides Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Hydroxy fatty acids Medium-chain fatty acids Medium-chain hydroxy acids and derivatives Monoalkylamines Monocarboxylic acids and derivatives Monosaccharides Organic oxides Organopnictogen compounds Polyols Primary alcohols Secondary alcohols 1,3-aminoalcohol Alcohol Aliphatic acyclic compound Amine Amino acid Amino fatty acid Amino saccharide Beta-hydroxy acid Carbonyl group Carboxylic acid D-alpha-amino acid Fatty acid Fatty acyl Hydrocarbon derivative Hydroxy acid Hydroxy fatty acid Medium-chain fatty acid Medium-chain hydroxy acid Monocarboxylic acid or derivatives Monosaccharide Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Polyol Primary alcohol Primary aliphatic amine Primary amine Secondary alcohol Aliphatic acyclic compounds Uronic acids gluconic acid derivative logp -3.24 ALOGPS logs -0.12 ALOGPS logp -5.8 ChemAxon pka_strongest_acidic 1.81 ChemAxon pka_strongest_basic 8.31 ChemAxon iupac (2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoic acid ChemAxon average_mass 195.1705 ChemAxon mono_mass 195.074287153 ChemAxon smiles [H][C@](N)(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)CO ChemAxon formula C6H13NO6 ChemAxon inchi InChI=1S/C6H13NO6/c7-3(6(12)13)5(11)4(10)2(9)1-8/h2-5,8-11H,1,7H2,(H,12,13)/t2-,3-,4-,5-/m1/s1 ChemAxon inchikey UFYKDFXCZBTLOO-TXICZTDVSA-N ChemAxon polar_surface_area 144.24 ChemAxon refractivity 39.93 ChemAxon polarizability 17.5 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 7 ChemAxon donor_count 6 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::MsMs 1320952 Specdb::MsMs 1320953 Specdb::MsMs 1320954 Specdb::MsMs 1435372 Specdb::MsMs 1435373 Specdb::MsMs 1435374 Specdb::CMs 1726 Specdb::CMs 1753 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 17784 73563 C03752 GLUCOSAMINATE