1.0 2011-09-21 00:14:19 UTC 2015-07-21 06:57:13 UTC FDB022456 4-Trimethylammoniobutanoic acid 4-Trimethylammoniobutanoic acid is a substrate for Gamma-butyrobetaine dioxygenase, Aldehyde dehydrogenase (dimeric NADP-preferring), Aldehyde dehydrogenase family 7 member A1, Aldehyde dehydrogenase 1A3, Aldehyde dehydrogenase (mitochondrial), Fatty aldehyde dehydrogenase, Aldehyde dehydrogenase X (mitochondrial) and 4-trimethylaminobutyraldehyde dehydrogenase. [HMDB] 4-(N-Trimethylamino)butyrate 4-Butyrobetaine 4-Trimethylammoniobutanoate 4-Trimethylammoniobutanoic acid Actinine Butyrobetaine Deoxycarnitine gamma-Butyrobetaine C7H16NO2 146.2074 146.118103761 (3-carboxypropyl)trimethylazanium 4-trimethylaminobutyrate 407-64-7 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. Straight chain fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aliphatic acyclic compounds 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 quaternary ammonium ion Solid logp -3.01 ALOGPS logs -2.74 ALOGPS solubility 3.33e-01 g/l 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 Carnitine Synthesis SMP00465 Specdb::MsMs 290545 Specdb::MsMs 290546 Specdb::MsMs 290547 Specdb::CMs 11130 Specdb::CMs 37951 HMDB01161 16244 NM2 #<Reference:0x000055ac40fda448> #<Reference:0x000055ac40fda290> #<Reference:0x000055ac40fda0d8> #<Reference:0x000055ac40fd9f20> #<Reference:0x000055ac40fd9d68>