1.0 2016-09-30 22:32:24 UTC 2020-05-11 20:37:10 UTC BMDB0000539 BMDB00539 Arabinonic acid D-Arabonic acid D-Arabinonic acid D-Arabonate D-Arabinonate Arabinonate Arabate Arabic acid, sodium salt Sodium arabate Arabic acid 2,3,4,5-Tetrahydroxypentanoic acid Arabonate Arabonic acid C5H10O6 166.1293 166.047738052 (2S,3R,4R)-2,3,4,5-tetrahydroxypentanoic acid arabinonate 488-30-2 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+/m1/s1 QXKAIJAYHKCRRA-JJYYJPOSSA-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 arabinonic acid Solid 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,4R)-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+/m1/s1 ChemAxon inchikey QXKAIJAYHKCRRA-JJYYJPOSSA-N ChemAxon polar_surface_area 118.22 ChemAxon refractivity 32.31 ChemAxon polarizability 14.38 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::MsMs 313816 Specdb::MsMs 313817 Specdb::MsMs 313818 Specdb::MsMs 359398 Specdb::MsMs 359399 Specdb::MsMs 359400 Specdb::MsMs 2748355 Specdb::MsMs 2748356 Specdb::MsMs 2748357 Specdb::MsMs 2934093 Specdb::MsMs 2934094 Specdb::MsMs 2934095 Specdb::MsIr 614 Specdb::MsIr 615 Specdb::MsIr 616 Specdb::CMs 1456 Specdb::CMs 21505 Specdb::CMs 31165 Specdb::CMs 37607 Specdb::CMs 151924 Specdb::CMs 1065455 Specdb::CMs 1065457 Specdb::CMs 1065459 Specdb::CMs 1065460 Specdb::CMs 1065462 Specdb::CMs 1065464 Specdb::CMs 1065466 Specdb::CMs 1065468 Specdb::CMs 1065469 Specdb::CMs 1065471 Specdb::CMs 1065473 Specdb::CMs 1065475 Specdb::CMs 1065477 Specdb::CMs 1065478 Specdb::CMs 1065480 Specdb::CMs 1065482 Specdb::CMs 1065484 Specdb::CMs 1065486 Specdb::CMs 1065487 Specdb::CMs 1065489 Specdb::NmrOneD 144290 Specdb::NmrOneD 144291 Specdb::NmrOneD 144292 Specdb::NmrOneD 144293 Specdb::NmrOneD 144294 Specdb::NmrOneD 144295 Specdb::NmrOneD 144296 Specdb::NmrOneD 144297 Specdb::NmrOneD 144298 Specdb::NmrOneD 144299 Specdb::NmrOneD 144300 Specdb::NmrOneD 144301 Specdb::NmrOneD 144302 Specdb::NmrOneD 144303 Specdb::NmrOneD 144304 Specdb::NmrOneD 144305 Specdb::NmrOneD 144306 Specdb::NmrOneD 144307 Specdb::NmrOneD 144308 Specdb::NmrOneD 144309 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 Placenta Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 FDB022102 108861 122045 C00878 20912 C00054454 Dolnik, V.; Bocek, P.; Sistkova, L.; Korbl, J. Analytical control of arabonic acid production by isotachophoresis. Journal of Chromatography (1982), 246(2), 343-5.