1.0 2016-09-30 22:41:48 UTC 2020-05-11 20:38:41 UTC BMDB0001161 BMDB01161 4-Trimethylammoniobutanoic acid 4-Trimethylammoniobutanoate Butyrobetaine gamma-Butyrobetaine Butyro-betaine g-Butyrobetaine Γ-butyrobetaine Deoxy-carnitine Deoxycarnitine 4-N-Trimethylammonium butyrate 4-Trimethylaminobutyrate 4-(N-trimethylamino)Butyrate 4-Butyrobetaine Actinine C7H16NO2 146.2074 146.118103761 (3-carboxypropyl)trimethylazanium 4-trimethylaminobutyrate C[N+](C)(C)CCCC(O)=O InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3/p+1 JHPNVNIEXXLNTR-UHFFFAOYSA-O belongs to the class of organic compounds known as straight chain fatty acids. These are fatty acids with a straight aliphatic chain. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Straight chain fatty acids Amines Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic cations Organic oxides Organic salts Organopnictogen compounds Tetraalkylammonium salts Aliphatic acyclic compound Amine Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Monocarboxylic acid or derivatives Organic cation Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organonitrogen compound Organooxygen compound Organopnictogen compound Quaternary ammonium salt Straight chain fatty acid Tetraalkylammonium salt Aliphatic acyclic compounds quaternary ammonium ion Solid logp -3.01 ALOGPS logs -2.74 ALOGPS logp -4 ChemAxon pka_strongest_acidic 4.46 ChemAxon iupac (3-carboxypropyl)trimethylazanium ChemAxon average_mass 146.2074 ChemAxon mono_mass 146.118103761 ChemAxon smiles C[N+](C)(C)CCCC(O)=O ChemAxon formula C7H16NO2 ChemAxon inchi InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3/p+1 ChemAxon inchikey JHPNVNIEXXLNTR-UHFFFAOYSA-O ChemAxon polar_surface_area 37.3 ChemAxon refractivity 51.44 ChemAxon polarizability 16.63 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 1 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 Carnitine Synthesis SMP0087187 Specdb::CMs 11130 Specdb::CMs 37951 Specdb::MsMs 290545 Specdb::MsMs 290546 Specdb::MsMs 290547 Kidney 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 Liver 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 C01181 FDB022456 134 1941 Kawamura, Masao; Akutsu, Seiichi; Fukuda, Hirosuke; Hata, Hiroyuki; Morishita, Tsuyoshi; Kano, Kenji; Nishimori, Hirokuni. Manufacture of g-butyrobetaine by fermentation. Jpn. Kokai Tokkyo Koho (1987), 6 pp. BMDBP00593 4-trimethylaminobutyraldehyde dehydrogenase Q2KJH9 ALDH9A1 Enzyme