1.0 2011-09-21 00:19:44 UTC 2019-11-26 03:21:06 UTC FDB022795 Butyrylcarnitine Butyrylcarnitine is elevated in patients with acyl-coa dehydrogenase, short-chain (SCAD) deficiencyin; in infants with acute acidosis and generalized muscle weakness; and in middle-aged patients with chronic myopathy localized in muscle. (OMIM 201470) [HMDB] (3-carboxy-2-hydroxypropyl)trimethyl-L-butyrate (R)-3-carboxy-N,N,N-trimethyl-2-(1-oxobutoxy)-1-Propanaminium Butyryl-L-carnitine ester with (3-carboxy-2-hydroxypropyl)trimethylammonium L-Butyric acid ester with L-(3-carboxy-2-hydroxypropyl)trimethylammonium Butyric acid L-Carnitine butyryl ester n-Butyryl-L(-)-carnitine O-Butanoylcarnitine C11H21NO4 231.2887 231.147058165 3-(butanoyloxy)-4-(trimethylazaniumyl)butanoate L-carnitine butyryl ester 25576-40-3 CCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C InChI=1S/C11H21NO4/c1-5-6-11(15)16-9(7-10(13)14)8-12(2,3)4/h9H,5-8H2,1-4H3 QWYFHHGCZUCMBN-UHFFFAOYSA-N belongs to the class of organic compounds known as acyl carnitines. These are organic compounds containing a fatty acid with the carboxylic acid attached to carnitine through an ester bond. Acyl carnitines Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Aliphatic acyclic compounds Amines Carbonyl compounds Carboxylic acid esters Carboxylic acid salts Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organic salts Organopnictogen compounds Tetraalkylammonium salts Acyl-carnitine Aliphatic acyclic compound Amine Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Carboxylic acid salt Dicarboxylic acid or derivatives Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organonitrogen compound Organooxygen compound Organopnictogen compound Quaternary ammonium salt Tetraalkylammonium salt C4-acylcarnitine Fatty acyl carnitines butyrate ester Solid logp -2.10 ALOGPS logs -3.74 ALOGPS solubility 5.23e-02 g/l ALOGPS logp -3.3 ChemAxon pka_strongest_acidic 4.27 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 3-(butanoyloxy)-4-(trimethylazaniumyl)butanoate ChemAxon average_mass 231.2887 ChemAxon mono_mass 231.147058165 ChemAxon smiles CCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C ChemAxon formula C11H21NO4 ChemAxon inchi InChI=1S/C11H21NO4/c1-5-6-11(15)16-9(7-10(13)14)8-12(2,3)4/h9H,5-8H2,1-4H3 ChemAxon inchikey QWYFHHGCZUCMBN-UHFFFAOYSA-N ChemAxon polar_surface_area 66.43 ChemAxon refractivity 81.86 ChemAxon polarizability 24.78 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2761 Specdb::NmrOneD 257708 Specdb::NmrOneD 257709 Specdb::NmrOneD 257710 Specdb::NmrOneD 257711 Specdb::NmrOneD 257712 Specdb::NmrOneD 257713 Specdb::NmrOneD 257714 Specdb::NmrOneD 257715 Specdb::NmrOneD 257716 Specdb::NmrOneD 257717 Specdb::NmrOneD 257718 Specdb::NmrOneD 257719 Specdb::NmrOneD 257720 Specdb::NmrOneD 257721 Specdb::NmrOneD 257722 Specdb::NmrOneD 257723 Specdb::NmrOneD 257724 Specdb::NmrOneD 257725 Specdb::NmrOneD 257726 Specdb::NmrOneD 257727 HMDB02013 #<Reference:0x000055ce321e5158> #<Reference:0x000055ce321e4fa0> #<Reference:0x000055ce321e4dc0> #<Reference:0x000055ce321e4bb8> 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 Milk (Cow) Type 2 specific 5.1975 6.6 3.99 uM 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