1.0 2011-09-21 00:39:58 UTC 2019-11-26 03:21:11 UTC FDB024107 3-Dehydroxycarnitine 3-Dehydroxycarnitine is an acylcarnitine. Numerous disorders have been described that lead to disturbances in energy production and in intermediary metabolism in the organism which are characterized by the production and excretion of unusual acylcarnitines. A mutation in the gene coding for carnitine-acylcarnitine translocase or the OCTN2 transporter aetiologically causes a carnitine deficiency that results in poor intestinal absorption of dietary L-carnitine, its impaired reabsorption by the kidney and, consequently, in increased urinary loss of L-carnitine. Determination of the qualitative pattern of acylcarnitines can be of diagnostic and therapeutic importance. The betaine structure of carnitine requires special analytical procedures for recording. The ionic nature of L-carnitine causes a high water solubility which decreases with increasing chain length of the ester group in the acylcarnitines. Therefore, the distribution of L-carnitine and acylcarnitines in various organs is defined by their function and their physico-chemical properties as well. High performance liquid chromatography (HPLC) permits screening for free and total carnitine, as well as complete quantitative acylcarnitine determination, including the long-chain acylcarnitine profile. (PMID: 17508264, Monatshefte fuer Chemie (2005), 136(8), 1279-1291., Int J Mass Spectrom. 1999;188:39-52.) [HMDB] 4-(N-Trimethylamino)butyric acid g-Butyrobetain g-Butyrobetaine gamma-Butyrobetain γ-butyrobetain γ-butyrobetaine C7H15NO2 145.1995 145.110278729 4-(trimethylazaniumyl)butanoate butyrobetaine 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 JHPNVNIEXXLNTR-UHFFFAOYSA-N 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 acid salts Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organic salts Organopnictogen compounds Tetraalkylammonium salts Aliphatic acyclic compound Amine Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid salt Hydrocarbon derivative Monocarboxylic acid or derivatives 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 amino-acid betaine an N-substituted amino acid Solid logp -3.15 ALOGPS logs -2.95 ALOGPS solubility 2.25e-01 g/l ALOGPS logp -4 ChemAxon pka_strongest_acidic 4.46 ChemAxon iupac 4-(trimethylazaniumyl)butanoate ChemAxon average_mass 145.1995 ChemAxon mono_mass 145.110278729 ChemAxon smiles C[N+](C)(C)CCCC([O-])=O ChemAxon formula C7H15NO2 ChemAxon inchi InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3 ChemAxon inchikey JHPNVNIEXXLNTR-UHFFFAOYSA-N ChemAxon polar_surface_area 40.13 ChemAxon refractivity 62.28 ChemAxon polarizability 16.2 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22503 Specdb::CMs 171549 Specdb::MsIr 2428 Specdb::MsIr 2429 Specdb::MsMs 316006 Specdb::MsMs 316007 Specdb::MsMs 316008 Specdb::MsMs 362143 Specdb::MsMs 362144 Specdb::MsMs 362145 Specdb::MsMs 445955 Specdb::MsMs 445956 Specdb::MsMs 445957 Specdb::MsMs 445958 Specdb::MsMs 445959 Specdb::MsMs 451916 Specdb::MsMs 2226282 Specdb::MsMs 2228408 Specdb::MsMs 2228638 Specdb::MsMs 2230831 Specdb::MsMs 2230911 Specdb::MsMs 2233273 Specdb::MsMs 2233346 Specdb::MsMs 2235597 Specdb::MsMs 2244552 Specdb::MsMs 2245579 Specdb::MsMs 2246672 Specdb::MsMs 2247604 Specdb::MsMs 2249605 Specdb::NmrOneD 8802 Specdb::NmrOneD 8803 Specdb::NmrOneD 8804 Specdb::NmrOneD 8805 Specdb::NmrOneD 8806 Specdb::NmrOneD 8807 Specdb::NmrOneD 8808 Specdb::NmrOneD 8809 Specdb::NmrOneD 8810 Specdb::NmrOneD 8811 Specdb::NmrOneD 8812 Specdb::NmrOneD 8813 Specdb::NmrOneD 8814 Specdb::NmrOneD 8815 Specdb::NmrOneD 8816 Specdb::NmrOneD 8817 Specdb::NmrOneD 8818 Specdb::NmrOneD 8819 Specdb::NmrOneD 8820 Specdb::NmrOneD 8821 HMDB06831 #<Reference:0x000055ce315c8eb0> Amaranth Type 1 specific Amaranthus 3564 Anatidae Type 1 specific Anatidae 8830 Annual wild rice Type 1 specific Zizania aquatica 75727 Barley Type 1 specific Hordeum vulgare 4513 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Breakfast cereal Type 2 specific Buffalo Type 1 specific Bubalus bubalis 89462 Bulgur Type 2 specific Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Cereals and cereal products Unknown generic Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Common buckwheat Type 1 specific Fagopyrum esculentum 3617 Common wheat Type 1 specific Triticum aestivum 4565 Corn Type 1 specific Zea mays 4577 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 Flour Type 2 specific Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Hard wheat Type 1 specific Triticum durum 4567 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Millet Type 1 specific Panicum miliaceum 4540 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Oat Type 1 specific Avena sativa 4498 Oriental wheat Type 1 specific Triticum turanicum 376534 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Quinoa Type 1 specific Chenopodium quinoa 63459 Rabbit Type 1 specific Leporidae 9979 Red rice Type 1 specific Oryza rufipogon 4529 Rice Type 1 specific Oryza sativa 4530 Rock ptarmigan Type 1 specific Lagopus muta 64668 Rye Type 1 specific Secale cereale 4550 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Sorghum Type 1 specific Sorghum bicolor 4558 Soy bean Type 1 specific Glycine max 3847 Spelt Type 1 specific Triticum spelta 58933 Squab Type 1 specific Columba 8931 Tartary buckwheat Type 1 specific Fagopyrum tataricum 62330 Teff Type 1 specific Eragrostis tef 110835 Triticale Type 1 specific X Triticosecale rimpaui Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wheat Type 1 specific Triticum 4564 Wild boar Type 1 specific Sus scrofa 9823 Wild rice Type 1 specific Zizania 15949