1.0 2011-09-21 00:11:57 UTC 2015-07-21 06:57:08 UTC FDB022313 trans-4-Hydroxycyclohexylacetic acid trans-4-hydroxycyclohexylacetic acid is a tyrosine metabolite that has been found in the urine of a patient with a defect of 4-hydroxyphenylpyruvate dioxygenase (EC 1.13.11.27), an inborn error of metabolism. (PMID: 701419, 719903) [HMDB] 4-hydroxy-cyclohexyl Acetic acid ester 4-Hydroxycyclohexyl acetate trans-4-Hydroxycyclohexylacetate trans-4-Hydroxycyclohexylacetic acid C8H14O3 158.195 158.094294314 2-[(1r,4r)-4-hydroxycyclohexyl]acetic acid [(1r,4r)-4-hydroxycyclohexyl]acetic acid 68592-23-4 O[C@H]1CC[C@H](CC(O)=O)CC1 InChI=1S/C8H14O3/c9-7-3-1-6(2-4-7)5-8(10)11/h6-7,9H,1-5H2,(H,10,11)/t6-,7- ALTAAUJNHYWOGS-LJGSYFOKSA-N belongs to the class of organic compounds known as cyclohexanols. Cyclohexanols are compounds containing an alcohol group attached to a cyclohexane ring. Cyclohexanols Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Aliphatic homomonocyclic compounds Carbonyl compounds Carboxylic acids Cyclic alcohols and derivatives Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic homomonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic alcohol Cyclohexanol Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Solid logp 0.93 ALOGPS logs -0.77 ALOGPS solubility 2.71e+01 g/l ALOGPS logp 0.69 ChemAxon pka_strongest_acidic 4.65 ChemAxon pka_strongest_basic -1.5 ChemAxon iupac 2-[(1r,4r)-4-hydroxycyclohexyl]acetic acid ChemAxon average_mass 158.195 ChemAxon mono_mass 158.094294314 ChemAxon smiles O[C@H]1CC[C@H](CC(O)=O)CC1 ChemAxon formula C8H14O3 ChemAxon inchi InChI=1S/C8H14O3/c9-7-3-1-6(2-4-7)5-8(10)11/h6-7,9H,1-5H2,(H,10,11)/t6-,7- ChemAxon inchikey ALTAAUJNHYWOGS-LJGSYFOKSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 40.09 ChemAxon polarizability 16.85 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 963 Specdb::MsIr 964 Specdb::MsIr 965 Specdb::CMs 15243 Specdb::CMs 37838 Specdb::CMs 137854 Specdb::CMs 145588 Specdb::CMs 1081365 Specdb::CMs 1081367 Specdb::CMs 1081369 Specdb::CMs 1081371 Specdb::CMs 1081372 Specdb::MsMs 63549 Specdb::MsMs 63550 Specdb::MsMs 63551 Specdb::MsMs 120513 Specdb::MsMs 120514 Specdb::MsMs 120515 Specdb::MsMs 2678069 Specdb::MsMs 2678070 Specdb::MsMs 2678071 Specdb::MsMs 3031358 Specdb::MsMs 3031359 Specdb::MsMs 3031360 HMDB00909 #<Reference:0x000055ce330e3f60> #<Reference:0x000055ce330e3d58> #<Reference:0x000055ce330e3b28> 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