1.0 2016-09-30 22:30:35 UTC 2020-05-11 20:29:11 UTC BMDB0000428 BMDB00428 3-Hydroxyglutaric acid 3-Hydroxy-glutaric acid beta-Hydroxyglutaric acid 3-Hydroxy-glutarate b-Hydroxyglutarate b-Hydroxyglutaric acid beta-Hydroxyglutarate Β-hydroxyglutarate Β-hydroxyglutaric acid 3-Hydroxyglutarate 3-Hydroxypentanedioic acid 2,4-Dideoxypentaric acid 3-Hydroxypentanedioate 3-Hydroxyglutaric acid C5H8O5 148.114 148.037173366 3-hydroxypentanedioic acid 3-hydroxyglutaric acid 638-18-6 OC(CC(O)=O)CC(O)=O InChI=1S/C5H8O5/c6-3(1-4(7)8)2-5(9)10/h3,6H,1-2H2,(H,7,8)(H,9,10) ZQHYXNSQOIDNTL-UHFFFAOYSA-N belongs to the class of organic compounds known as beta hydroxy acids and derivatives. Beta hydroxy acids and derivatives are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. Organic compounds Organic acids and derivatives Hydroxy acids and derivatives Beta hydroxy acids and derivatives Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Fatty acids and conjugates Hydrocarbon derivatives Organic oxides Secondary alcohols Short-chain hydroxy acids and derivatives Alcohol Aliphatic acyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Fatty acid Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Short-chain hydroxy acid Aliphatic acyclic compounds Solid logp -1.17 ALOGPS logs 0.06 ALOGPS logp -1 ChemAxon pka_strongest_acidic 3.52 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 3-hydroxypentanedioic acid ChemAxon average_mass 148.114 ChemAxon mono_mass 148.037173366 ChemAxon smiles OC(CC(O)=O)CC(O)=O ChemAxon formula C5H8O5 ChemAxon inchi InChI=1S/C5H8O5/c6-3(1-4(7)8)2-5(9)10/h3,6H,1-2H2,(H,7,8)(H,9,10) ChemAxon inchikey ZQHYXNSQOIDNTL-UHFFFAOYSA-N ChemAxon polar_surface_area 94.83 ChemAxon refractivity 29.5 ChemAxon polarizability 12.81 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 3 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 Specdb::MsIr 508 Specdb::MsIr 509 Specdb::MsIr 510 Specdb::NmrTwoD 1310 Specdb::NmrOneD 1366 Specdb::NmrOneD 166352 Specdb::NmrOneD 166646 Specdb::CMs 24379 Specdb::CMs 37527 Specdb::CMs 130694 Specdb::CMs 138428 Specdb::CMs 1062334 Specdb::CMs 1062336 Specdb::CMs 1062337 Specdb::CMs 1062339 Specdb::CMs 1062341 Specdb::CMs 1062343 Specdb::CMs 1062345 Specdb::CMs 1062346 Specdb::CMs 1062348 Specdb::MsMs 77385 Specdb::MsMs 77386 Specdb::MsMs 77387 Specdb::MsMs 137493 Specdb::MsMs 137494 Specdb::MsMs 137495 Specdb::MsMs 2226941 Specdb::MsMs 2227791 Specdb::MsMs 2229340 Specdb::MsMs 2707385 Specdb::MsMs 2707386 Specdb::MsMs 2707387 Specdb::MsMs 2998891 Specdb::MsMs 2998892 Specdb::MsMs 2998893 Neuron 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 FDB022040 158277 DB04594 39980 181976 Alpha-Hydroxyglutaric acid 5417 Arnaud, Nathalie; Picard, Claude; Cazaux, Louis; Tisnes, Pierre. Synthesis of macrocyclic polyhydroxy tetralactams derived from L-tartaric acid and b-hydroxyglutaric acid. Tetrahedron (1997), 53(40), 13757-13768.