1.0 2011-09-21 00:06:58 UTC 2015-10-09 22:33:41 UTC FDB022012 3-Hydroxytetradecanedioic acid 3-Hydroxytetradecanedioic acid is an unusual 3-hydroxydicarboxylic acid human metabolite found occasionally in urine. (PMID 2925825) High levels of 3-Hydroxytetradecanedioic acid (and other 3-hydroxydicarboxylic acids) were detected in the urine of a patient with 3-hydroxydicarboxylic aciduria (PMID 1507493), due to acute intoxication associated with hopantenate occurs owing to pantothenic acid deficiency or the inhibition of CoA-requiring reactions during stress, i.e., infection, prolonged fasting, or malnutrition (PMID 2026687), and in a patient with thanatophoric dysplasia due to enhanced but incomplete oxidation of fatty acid, a consequence of a heterozygous point mutation, S249C in the fibroblast growth factor receptor 3 gene. (PMID 11879084) [HMDB] 3-Hydroxytetradecanedioate 3-Hydroxytetradecanedioic acid C14H26O5 274.3532 274.178023942 3-hydroxytetradecanedioic acid 3-hydroxytetradecanedioic acid 73179-89-2 OC(CCCCCCCCCCC(O)=O)CC(O)=O InChI=1S/C14H26O5/c15-12(11-14(18)19)9-7-5-3-1-2-4-6-8-10-13(16)17/h12,15H,1-11H2,(H,16,17)(H,18,19) CEDZIURHISELSQ-UHFFFAOYSA-N belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Long-chain fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aliphatic acyclic compounds Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Hydroxy fatty acids Organic oxides Secondary alcohols Alcohol Aliphatic acyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Hydrocarbon derivative Hydroxy acid Hydroxy fatty acid Long-chain fatty acid Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Dicarboxylic acids Solid logp 2.03 ALOGPS logs -2.97 ALOGPS solubility 2.91e-01 g/l ALOGPS logp 2.82 ChemAxon pka_strongest_acidic 4.49 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 3-hydroxytetradecanedioic acid ChemAxon average_mass 274.3532 ChemAxon mono_mass 274.178023942 ChemAxon smiles OC(CCCCCCCCCCC(O)=O)CC(O)=O ChemAxon formula C14H26O5 ChemAxon inchi InChI=1S/C14H26O5/c15-12(11-14(18)19)9-7-5-3-1-2-4-6-8-10-13(16)17/h12,15H,1-11H2,(H,16,17)(H,18,19) ChemAxon inchikey CEDZIURHISELSQ-UHFFFAOYSA-N ChemAxon polar_surface_area 94.83 ChemAxon refractivity 71.06 ChemAxon polarizability 31.84 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::NmrTwoD 1296 Specdb::MsMs 97617 Specdb::MsMs 97618 Specdb::MsMs 97619 Specdb::MsMs 162375 Specdb::MsMs 162376 Specdb::MsMs 162377 Specdb::MsMs 2662054 Specdb::MsMs 2662055 Specdb::MsMs 2662056 Specdb::MsMs 3020220 Specdb::MsMs 3020221 Specdb::MsMs 3020222 Specdb::CMs 15797 Specdb::CMs 37494 Specdb::CMs 171484 Specdb::CMs 1060343 Specdb::CMs 1060345 Specdb::CMs 1060347 Specdb::CMs 1060349 Specdb::CMs 1060350 Specdb::CMs 1060352 Specdb::CMs 1060354 Specdb::CMs 1060356 Specdb::CMs 1060358 Specdb::CMs 1060360 Specdb::CMs 1060362 Specdb::CMs 1060364 Specdb::CMs 1060366 Specdb::NmrOneD 1354 Specdb::NmrOneD 166614 HMDB00394 #<Reference:0x000055ce305227c8> #<Reference:0x000055ce305225c0> #<Reference:0x000055ce30522408> #<Reference:0x000055ce30522200> 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 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