1.0 2011-09-21 01:38:45 UTC 2024-11-29 22:25:40 UTC FDB028373 p-Cresol glucuronide p-Cresol glucuronide is a glucuronide derivative a p-Cresol that is typically excreted in the urine. Cresols are known as methylphenols. Cresols are used to dissolve other chemicals, such as disinfectants and deodorizers. They are also used to make specific chemicals that kill insect pests. Cresol solutions are used as household cleaners and disinfectants such as Lysol. Cresol solutions can also be found in photographic developers. In the past, cresol solutions have been used as antiseptics in surgery, but they have been largely displaced in this role by less toxic compounds. Cresols are found in many foods and in wood and tobacco smoke, crude oil, coal tar, and in brown mixtures such as creosote, cresolene and cresylic acids, which are wood preservatives. Microbes in soil and water produce cresols when they break down materials in the environment. Most exposures to cresols are at very low levels that are not harmful. When cresols are breathed, ingested, or applied to the skin at very high levels, they can be very harmful. Effects observed in people include irritation and burning of skin, eyes, mouth, and throat; abdominal pain and vomiting. Cresols are also a chemical component found in Sharpie Markers. P-cresol is a major component in pig odor. [HMDB] 4-Methylphenyl beta-D-glucopyranosiduronate 4-Methylphenyl beta-D-glucopyranosiduronic acid Cresol glucuronide Cresyl glucuronide Cresylglucuronide P-Cresyl glucuronide P-Cresyl-beta-D-glucuronide P-Cresylglucuronide pCG C13H16O7 284.2619 284.089602866 (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methylphenoxy)oxane-2-carboxylic acid (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methylphenoxy)oxane-2-carboxylic acid 17680-99-8 CC1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1 InChI=1S/C13H16O7/c1-6-2-4-7(5-3-6)19-13-10(16)8(14)9(15)11(20-13)12(17)18/h2-5,8-11,13-16H,1H3,(H,17,18)/t8-,9-,10+,11-,13+/m0/s1 JPAUCQAJHLSMQW-XPORZQOISA-N belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Phenolic glycosides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteromonocyclic compounds Acetals Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides O-glucuronides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenoxy compounds Polyols Pyrans Secondary alcohols Toluenes 1-o-glucuronide Acetal Alcohol Aromatic heteromonocyclic compound Benzenoid Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Glucuronic acid or derivatives Hydrocarbon derivative Hydroxy acid Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glucuronide O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Pyran Secondary alcohol Toluene Solid logp -0.45 ALOGPS logs -1.07 ALOGPS solubility 2.40e+01 g/l ALOGPS logp 0.24 ChemAxon pka_strongest_acidic 3.3 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methylphenoxy)oxane-2-carboxylic acid ChemAxon average_mass 284.2619 ChemAxon mono_mass 284.089602866 ChemAxon smiles CC1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1 ChemAxon formula C13H16O7 ChemAxon inchi InChI=1S/C13H16O7/c1-6-2-4-7(5-3-6)19-13-10(16)8(14)9(15)11(20-13)12(17)18/h2-5,8-11,13-16H,1H3,(H,17,18)/t8-,9-,10+,11-,13+/m0/s1 ChemAxon inchikey JPAUCQAJHLSMQW-XPORZQOISA-N ChemAxon polar_surface_area 116.45 ChemAxon refractivity 65.09 ChemAxon polarizability 27.44 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Metabolism and Physiological Effects of Para-cresyl glucuronide SMP0123299 Specdb::CMs 15288 Specdb::CMs 39765 Specdb::CMs 130758 Specdb::CMs 138492 Specdb::NmrOneD 94012 Specdb::NmrOneD 94013 Specdb::NmrOneD 94014 Specdb::NmrOneD 94015 Specdb::NmrOneD 94016 Specdb::NmrOneD 94017 Specdb::NmrOneD 94018 Specdb::NmrOneD 94019 Specdb::NmrOneD 94020 Specdb::NmrOneD 94021 Specdb::NmrOneD 94022 Specdb::NmrOneD 94023 Specdb::NmrOneD 94024 Specdb::NmrOneD 94025 Specdb::NmrOneD 94026 Specdb::NmrOneD 94027 Specdb::NmrOneD 94028 Specdb::NmrOneD 94029 Specdb::NmrOneD 94030 Specdb::NmrOneD 94031 Specdb::MsMs 85236 Specdb::MsMs 85237 Specdb::MsMs 85238 Specdb::MsMs 147300 Specdb::MsMs 147301 Specdb::MsMs 147302 Specdb::MsMs 2245101 Specdb::MsMs 2247132 Specdb::MsMs 2247177 Specdb::MsMs 2423737 Specdb::MsMs 2423738 Specdb::MsMs 2423739 Specdb::MsMs 2515386 Specdb::MsMs 2515387 Specdb::MsMs 2515388 HMDB11686 #<Reference:0x000055ce324123b8> 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 UDP-glucuronosyltransferase 1-1 P22309 UGT1A1 UDP-glucuronosyltransferase 1-4 P22310 UGT1A4 UDP-glucuronosyltransferase 1-6 P19224 UGT1A6 UDP-glucuronosyltransferase 1-9 O60656 UGT1A9 UDP-glucuronosyltransferase 2B4 P06133 UGT2B4 UDP-glucuronosyltransferase 2B7 P16662 UGT2B7