1.0 2016-09-30 22:36:04 UTC 2020-05-11 20:37:49 UTC BMDB0000754 BMDB00754 3-Hydroxyisovaleric acid 3-Hydroxy-3-methylbutyric acid 3-Hydroxy-isovaleric acid 3-Methyl-3-hydroxybutyric acid 3-OH-Isovaleric acid beta-Hydroxy-beta-methylbutyric acid beta-Hydroxyisovaleric acid HMB HMB-D6 3-Hydroxy-3-methylbutyrate 3-Hydroxy-isovalerate 3-Methyl-3-hydroxybutyrate 3-OH-Isovalerate b-Hydroxy-b-methylbutyrate b-Hydroxy-b-methylbutyric acid beta-Hydroxy-beta-methylbutyrate Β-hydroxy-β-methylbutyrate Β-hydroxy-β-methylbutyric acid b-Hydroxyisovalerate b-Hydroxyisovaleric acid beta-Hydroxyisovalerate Β-hydroxyisovalerate Β-hydroxyisovaleric acid 3-Hydroxyisovalerate beta Hydroxy beta methylbutyrate beta-Hydroxy beta-methylbutyrate 3-Hydroxy-3-methyl-butanoate 3-Hydroxy-3-methyl-butanoic acid 3-Hydroxy-3-methyl-butyric acid 3-Hydroxy-3-methylbutanoate 3-Hydroxy-3-methylbutanoic acid 3-Hydroxyisovaleric acid C5H10O3 118.1311 118.062994186 3-hydroxy-3-methylbutanoic acid 3-hydroxyisovaleric acid 625-08-1 CC(C)(O)CC(O)=O InChI=1S/C5H10O3/c1-5(2,8)3-4(6)7/h8H,3H2,1-2H3,(H,6,7) AXFYFNCPONWUHW-UHFFFAOYSA-N belongs to the class of organic compounds known as hydroxy fatty acids. These are fatty acids in which the chain bears a hydroxyl group. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Hydroxy fatty acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Methyl-branched fatty acids Monocarboxylic acids and derivatives Organic oxides Short-chain hydroxy acids and derivatives Tertiary alcohols Alcohol Aliphatic acyclic compound Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Hydroxy fatty acid Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Short-chain hydroxy acid Tertiary alcohol Aliphatic acyclic compounds 3-hydroxy monocarboxylic acid Hydroxy fatty acids Solid melting_point 65 - 67 °C logp -0.12 ALOGPS logs 0.51 ALOGPS logp -0.11 ChemAxon pka_strongest_acidic 4.55 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 3-hydroxy-3-methylbutanoic acid ChemAxon average_mass 118.1311 ChemAxon mono_mass 118.062994186 ChemAxon smiles CC(C)(O)CC(O)=O ChemAxon formula C5H10O3 ChemAxon inchi InChI=1S/C5H10O3/c1-5(2,8)3-4(6)7/h8H,3H2,1-2H3,(H,6,7) ChemAxon inchikey AXFYFNCPONWUHW-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 28.1 ChemAxon polarizability 11.75 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::EiMs 748 Specdb::NmrTwoD 1469 Specdb::MsIr 831 Specdb::MsIr 832 Specdb::MsIr 833 Specdb::MsMs 1080 Specdb::MsMs 1081 Specdb::MsMs 1082 Specdb::MsMs 319690 Specdb::MsMs 319691 Specdb::MsMs 319692 Specdb::MsMs 366889 Specdb::MsMs 366890 Specdb::MsMs 366891 Specdb::MsMs 2240054 Specdb::MsMs 2241645 Specdb::MsMs 2242101 Specdb::MsMs 2243787 Specdb::MsMs 2344292 Specdb::MsMs 2344293 Specdb::MsMs 2344294 Specdb::MsMs 2590939 Specdb::MsMs 2590940 Specdb::MsMs 2590941 Specdb::CMs 642 Specdb::CMs 24244 Specdb::CMs 30443 Specdb::CMs 37745 Specdb::CMs 146148 Specdb::CMs 1074721 Specdb::CMs 1074722 Specdb::CMs 1074724 Specdb::CMs 1074726 Specdb::CMs 1074727 Specdb::NmrOneD 1523 Specdb::NmrOneD 20762 Specdb::NmrOneD 20763 Specdb::NmrOneD 20764 Specdb::NmrOneD 20765 Specdb::NmrOneD 20766 Specdb::NmrOneD 20767 Specdb::NmrOneD 20768 Specdb::NmrOneD 20769 Specdb::NmrOneD 20770 Specdb::NmrOneD 20771 Specdb::NmrOneD 20772 Specdb::NmrOneD 20773 Specdb::NmrOneD 20774 Specdb::NmrOneD 20775 Specdb::NmrOneD 20776 Specdb::NmrOneD 20777 Specdb::NmrOneD 20778 Specdb::NmrOneD 20779 Specdb::NmrOneD 20780 Specdb::NmrOneD 20781 Specdb::NmrOneD 166332 Specdb::NmrOneD 166676 Blood Jiyuan Li, Everestus C. Akanno, Tiago Valente, Mohammed Abo-Ismail, Brian Karisa, Zhiquan Wang, Graham S. Plastow. Genomic heritability and genome-wide association studies of plasma metabolites in crossbred beef cattle. (in preparation) Fibroblasts 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 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 FDB022225 62571 69362 37084 Beta-Hydroxy_beta-methylbutyric_acid 5722 Rudney, Harry. Biosynthesis of b-hydroxy-b-methylglutaric acid. Journal of Biological Chemistry (1957), 227 363-77.