1.0 2016-09-30 22:30:48 UTC 2020-05-11 20:50:29 UTC BMDB0000442 BMDB00442 (S)-3-Hydroxybutyric acid (+)-3-Hydroxybutyric acid (3S)-3-Hydroxybutyric acid (S)-3-Hydroxybutanoic acid (S)-3Hb (S)-beta-Hydroxybutyric acid L-(+)-3-Hydroxybutyric acid L-3-Hydroxybutyric acid (+)-3-Hydroxybutyrate (3S)-3-Hydroxybutyrate (S)-3-Hydroxybutanoate (S)-b-Hydroxybutyrate (S)-b-Hydroxybutyric acid (S)-beta-Hydroxybutyrate (S)-Β-hydroxybutyrate (S)-Β-hydroxybutyric acid L-(+)-3-Hydroxybutyrate L-3-Hydroxybutyrate (S)-3-Hydroxybutyrate (+)-3-Hydroxy-N-butyric acid (3S)-3-Hydroxy-butanoate (3S)-3-Hydroxy-butanoic acid (S)-3-Hydroxy-2-methyl-propanoate (S)-3-Hydroxy-2-methyl-propanoic acid (S)-3-Hydroxy-butanoate (S)-3-Hydroxy-butanoic acid (S)-b-Hydroxyisobutyrate (S)-b-Hydroxyisobutyric acid (S)-beta-Hydroxyisobutyrate (S)-beta-Hydroxyisobutyric acid L-(+)-2-Methyl-hydracrylate L-(+)-2-Methyl-hydracrylic acid L-(+)-b-Hydroxyisobutyrate L-(+)-b-Hydroxyisobutyric acid L-(+)-beta-Hydroxyisobutyrate L-(+)-beta-Hydroxyisobutyric acid L-beta-Hydroxybutyrate (3S)-3-Hydroxybutanoic acid (S)-(+)-beta-Hydroxybutyric acid (S)-(+)-Β-hydroxybutyric acid (S)-beta-Hydroxybutanoic acid (S)-Β-hydroxybutanoic acid 3-Hydroxy-N-butyric acid 3-Hydroxybutanoic acid 3-Hydroxybutyric acid L-beta-Hydroxybutyric acid L-Β-hydroxybutyric acid beta-Hydroxy-N-butyric acid beta-Hydroxybutanoic acid beta-Hydroxybutyric acid Β-hydroxy-N-butyric acid Β-hydroxybutanoic acid Β-hydroxybutyric acid (S)-3-Hydroxybutyric acid C4H8O3 104.1045 104.047344122 (3S)-3-hydroxybutanoic acid β-hydroxybutyrate,l 6168-83-8 C[C@H](O)CC(O)=O InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1 WHBMMWSBFZVSSR-VKHMYHEASA-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 Fatty acids and conjugates Hydrocarbon derivatives Monocarboxylic acids and 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 Fatty acid Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Short-chain hydroxy acid Aliphatic acyclic compounds 3-hydroxybutyric acid Solid melting_point 45 - 48 °C logp -0.50 ALOGPS logs 0.71 ALOGPS logp -0.39 ChemAxon pka_strongest_acidic 4.41 ChemAxon pka_strongest_basic -2.6 ChemAxon iupac (3S)-3-hydroxybutanoic acid ChemAxon average_mass 104.1045 ChemAxon mono_mass 104.047344122 ChemAxon smiles C[C@H](O)CC(O)=O ChemAxon formula C4H8O3 ChemAxon inchi InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1 ChemAxon inchikey WHBMMWSBFZVSSR-VKHMYHEASA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 23.46 ChemAxon polarizability 9.94 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 2 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::NmrTwoD 1315 Specdb::CMs 17759 Specdb::CMs 37538 Specdb::CMs 168615 Specdb::CMs 1062746 Specdb::CMs 1062748 Specdb::CMs 1062749 Specdb::CMs 1062751 Specdb::CMs 1062753 Specdb::MsMs 644 Specdb::MsMs 645 Specdb::MsMs 646 Specdb::MsMs 305344 Specdb::MsMs 305345 Specdb::MsMs 305346 Specdb::MsMs 348736 Specdb::MsMs 348737 Specdb::MsMs 348738 Specdb::MsMs 2819199 Specdb::MsMs 2819200 Specdb::MsMs 2819201 Specdb::MsMs 2890537 Specdb::MsMs 2890538 Specdb::MsMs 2890539 Specdb::NmrOneD 1371 Specdb::NmrOneD 143890 Specdb::NmrOneD 143891 Specdb::NmrOneD 143892 Specdb::NmrOneD 143893 Specdb::NmrOneD 143894 Specdb::NmrOneD 143895 Specdb::NmrOneD 143896 Specdb::NmrOneD 143897 Specdb::NmrOneD 143898 Specdb::NmrOneD 143899 Specdb::NmrOneD 143900 Specdb::NmrOneD 143901 Specdb::NmrOneD 143902 Specdb::NmrOneD 143903 Specdb::NmrOneD 143904 Specdb::NmrOneD 143905 Specdb::NmrOneD 143906 Specdb::NmrOneD 143907 Specdb::NmrOneD 143908 Specdb::NmrOneD 143909 Adipose Tissue 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 Brain 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 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 Skeletal Muscle 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 FDB022048 C03197 85121 17290 94318 CPD-1843 Beta-Hydroxybutyric_acid Zhao, Jun. Synthesis of (S)-b-hydroxybutanoic acid from L-lactic acid. Hecheng Huaxue (1998), 6(4), 442-444. BMDBP00595 Hydroxyacid-oxoacid transhydrogenase, mitochondrial A6QP15 ADHFE1 Enzyme