1.0 2020-05-05 15:49:35 UTC 2020-05-05 18:39:03 UTC BMDB0109671 L-​Xylonic acid L-Xylonate L-Xylonic acid ​L-xylonate 2,3,4,5-Tetrahydroxypentanoic acid Xylonate Xylonic acid D-Xylonic acid C5H10O6 166.1293 166.047738052 (2S,3R,4S)-2,3,4,5-tetrahydroxypentanoic acid L-xylonic acid 4172-44-5 OC[C@H](O)[C@@H](O)[C@H](O)C(O)=O InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3+,4-/m0/s1 QXKAIJAYHKCRRA-NUNKFHFFSA-N belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group. Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Sugar acids and derivatives Alpha hydroxy acids and derivatives Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Fatty acids and conjugates Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Pentoses Polyols Primary alcohols Secondary alcohols Short-chain hydroxy acids and derivatives Alcohol Aliphatic acyclic compound Alpha-hydroxy acid Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Fatty acid Hydrocarbon derivative Hydroxy acid Monocarboxylic acid or derivatives Monosaccharide Organic oxide Pentose monosaccharide Polyol Primary alcohol Secondary alcohol Short-chain hydroxy acid Sugar acid Aliphatic acyclic compounds xylonic acid logp -2.48 ALOGPS logs 0.19 ALOGPS logp -2.8 ChemAxon pka_strongest_acidic 3.39 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S,3R,4S)-2,3,4,5-tetrahydroxypentanoic acid ChemAxon average_mass 166.1293 ChemAxon mono_mass 166.047738052 ChemAxon smiles OC[C@H](O)[C@@H](O)[C@H](O)C(O)=O ChemAxon formula C5H10O6 ChemAxon inchi InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3+,4-/m0/s1 ChemAxon inchikey QXKAIJAYHKCRRA-NUNKFHFFSA-N ChemAxon polar_surface_area 118.22 ChemAxon refractivity 32.31 ChemAxon polarizability 14.26 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 6 ChemAxon donor_count 5 ChemAxon physiological_charge -1 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::MsIr 9861 Specdb::MsIr 9862 Specdb::MsIr 9863 Specdb::CMs 36716 Specdb::CMs 48111 Specdb::CMs 162537 Specdb::MsMs 916027 Specdb::MsMs 916028 Specdb::MsMs 916029 Specdb::MsMs 964642 Specdb::MsMs 964643 Specdb::MsMs 964644 Specdb::MsMs 3224908 Specdb::MsMs 3224909 Specdb::MsMs 3224910 Specdb::MsMs 3224911 Specdb::MsMs 3224912 Specdb::MsMs 3224913 Specdb::NmrOneD 56582 Specdb::NmrOneD 56583 Specdb::NmrOneD 56584 Specdb::NmrOneD 56585 Specdb::NmrOneD 56586 Specdb::NmrOneD 56587 Specdb::NmrOneD 56588 Specdb::NmrOneD 56589 Specdb::NmrOneD 56590 Specdb::NmrOneD 56591 Specdb::NmrOneD 56592 Specdb::NmrOneD 56593 Specdb::NmrOneD 56594 Specdb::NmrOneD 56595 Specdb::NmrOneD 56596 Specdb::NmrOneD 56597 Specdb::NmrOneD 56598 Specdb::NmrOneD 56599 Specdb::NmrOneD 56600 Specdb::NmrOneD 56601 Liver Metabolomics analysis was performed using GC-MS/LC-MS in multiparous Holstein dairy cows Shahzad K, Lopreiato V, Liang Y, Trevisi E, Osorio JS, Xu C, Loor JJ: Hepatic metabolomics and transcriptomics to study susceptibility to ketosis in response to prepartal nutritional management. J Anim Sci Biotechnol. 2019 Dec 18;10:96. doi: 10.1186/s40104-019-0404-z. eCollection 2019. 31867104 6971043 C05411 Xylonic acid 48092