1.0 2011-09-21 01:53:40 UTC 2019-11-26 03:21:30 UTC FDB029305 Hydroxyvalerylcarnitine A human metabolite taken as a putative food compound of mammalian origin [HMDB] C12H25NO5 263.3306 263.173272915 (3S)-3-[(1,3-dihydroxypentyl)oxy]-4-(trimethylazaniumyl)butanoate (3S)-3-[(1,3-dihydroxypentyl)oxy]-4-(trimethylammonio)butanoate CCC(O)CC(O)O[C@@H](CC([O-])=O)C[N+](C)(C)C InChI=1S/C12H25NO5/c1-5-9(14)6-12(17)18-10(7-11(15)16)8-13(2,3)4/h9-10,12,14,17H,5-8H2,1-4H3/t9?,10-,12?/m0/s1 PSRQDLCMEPQOQH-YZRBJQDESA-N belongs to the class of organic compounds known as fatty acids and conjugates. These are aliphatic monocarboxylic acids with a saturated or unsaturated aliphatic tail (with at least 4 Carbon atoms). Fatty acids and conjugates Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aliphatic acyclic compounds Amines Carbonyl compounds Carboxylic acid salts Carboxylic acids Hemiacetals Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organic salts Organic zwitterions Organopnictogen compounds Secondary alcohols Tetraalkylammonium salts Alcohol Aliphatic acyclic compound Amine Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid salt Fatty acid Hemiacetal Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organic zwitterion Organonitrogen compound Organooxygen compound Organopnictogen compound Quaternary ammonium salt Secondary alcohol Tetraalkylammonium salt Solid logp -2.42 ALOGPS logs -2.14 ALOGPS solubility 2.28e+00 g/l ALOGPS logp -4.1 ChemAxon pka_strongest_acidic 4.32 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac (3S)-3-[(1,3-dihydroxypentyl)oxy]-4-(trimethylazaniumyl)butanoate ChemAxon average_mass 263.3306 ChemAxon mono_mass 263.173272915 ChemAxon smiles CCC(O)CC(O)O[C@@H](CC([O-])=O)C[N+](C)(C)C ChemAxon formula C12H25NO5 ChemAxon inchi InChI=1S/C12H25NO5/c1-5-9(14)6-12(17)18-10(7-11(15)16)8-13(2,3)4/h9-10,12,14,17H,5-8H2,1-4H3/t9?,10-,12?/m0/s1 ChemAxon inchikey PSRQDLCMEPQOQH-YZRBJQDESA-N ChemAxon polar_surface_area 89.82 ChemAxon refractivity 88.95 ChemAxon polarizability 28.19 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26435 Specdb::CMs 40065 Specdb::MsMs 324613 Specdb::MsMs 324614 Specdb::MsMs 324615 Specdb::MsMs 373057 Specdb::MsMs 373058 Specdb::MsMs 373059 HMDB13132 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Cow milk, pasteurized, vitamin A + D added, 0% fat Type 2 specific Cow milk, pasteurized, vitamin A + D added, 1% fat Type 2 specific Cow milk, pasteurized, vitamin A + D added, 2% fat Type 2 specific Cow milk, pasteurized, vitamin D added, 3.25% fat Type 2 specific Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823