1.0 2011-09-21 01:38:07 UTC 2025-11-19 02:55:03 UTC FDB028333 p-Cresol sulfate p-Cresol sulfate is a microbial metabolite that is found in urine and likely derives from secondary metabolism of p-cresol. It appears to be elevated in the urine of individuals with progressive multiple sclerosis (PMID: 10775436). p-Cresol sulfate is the major component of urinary MBPLM (myelin basic protein-like material). p-Cresol sulfate is a small protein-bound molecule that is poorly cleared with dialysis and is often considered to be a uremic toxin. Uremic toxins include low-molecular-weight compounds such as indoxyl sulfate, p-cresol sulfate, 3-carboxy-4-methyl-5-propyl-2-furanpropionic acid and asymmetric dimethylarginine (PMID: 18941347). It has been linked to cardiovascular disease and oxidative injury. [HMDB] 4-Cresol sulfate 4-Cresol sulfuric acid 4-Cresol sulphate 4-Cresol sulphuric acid mono(4-methylphenyl) Sulfate p-Cresol sulfate p-Cresol sulphate P-Cresyl sulfate P-Cresyl sulphate P-Cresyl-sulfate P-Cresyl-sulphate P-Cresylsulfate p-Cresylsulphate p-Tolyl sulfate (6CI,7CI) P-Tolyl sulphate (6ci,7ci) para-Cresol sulfate Para-cresol sulphate Sulfate mono-P-tolyl ester Sulfuric acid mono-P-tolyl ester sulfuric acid mono(p-tolyl) ester (8CI) Sulphate mono-P-tolyl ester Sulphuric acid mono-P-tolyl ester C7H8O3S 172.202 172.019414812 4-methylbenzene-1-sulfonic acid toluenesulfonic acid 3233-58-7 CC1=CC=C(C=C1)S(O)(=O)=O InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10) JOXIMZWYDAKGHI-UHFFFAOYSA-N belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position. p-Methylbenzenesulfonates Organic compounds Benzenoids Benzene and substituted derivatives Benzenesulfonic acids and derivatives Aromatic homomonocyclic compounds 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Hydrocarbon derivatives Organic oxides Organosulfonic acids Sulfonyls Tosyl compounds 1-sulfo,2-unsubstituted aromatic compound Aromatic homomonocyclic compound Arylsulfonic acid or derivatives Benzenesulfonyl group Hydrocarbon derivative Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organosulfonic acid Organosulfonic acid or derivatives Organosulfur compound P-methylbenzenesulfonate Sulfonyl Toluene Tosyl compound arenesulfonic acid toluenes Solid logp -0.88 ALOGPS logs -1.87 ALOGPS solubility 2.30e+00 g/l ALOGPS logp 1.67 ChemAxon pka_strongest_acidic -2.1 ChemAxon iupac 4-methylbenzene-1-sulfonic acid ChemAxon average_mass 172.202 ChemAxon mono_mass 172.019414812 ChemAxon smiles CC1=CC=C(C=C1)S(O)(=O)=O ChemAxon formula C7H8O3S ChemAxon inchi InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10) ChemAxon inchikey JOXIMZWYDAKGHI-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 41.72 ChemAxon polarizability 16.55 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 32254 Specdb::CMs 34373 Specdb::CMs 102422 Specdb::CMs 172573 Specdb::MsMs 78687 Specdb::MsMs 78688 Specdb::MsMs 78689 Specdb::MsMs 139107 Specdb::MsMs 139108 Specdb::MsMs 139109 Specdb::MsMs 2231070 Specdb::MsMs 2233501 Specdb::MsMs 2235452 Specdb::MsMs 2236163 Specdb::MsMs 2237236 Specdb::MsMs 2244388 Specdb::MsMs 2245704 Specdb::MsMs 2246555 Specdb::MsMs 2247749 Specdb::MsMs 2248650 Specdb::MsMs 2250661 Specdb::MsMs 2251748 Specdb::MsMs 3224032 Specdb::MsMs 3224033 Specdb::MsMs 3224034 Specdb::MsMs 3224035 Specdb::MsMs 3224036 Specdb::MsMs 3224037 Specdb::NmrOneD 53642 Specdb::NmrOneD 53643 Specdb::NmrOneD 53644 Specdb::NmrOneD 53645 Specdb::NmrOneD 53646 Specdb::NmrOneD 53647 Specdb::NmrOneD 53648 Specdb::NmrOneD 53649 Specdb::NmrOneD 53650 Specdb::NmrOneD 53651 Specdb::NmrOneD 53652 Specdb::NmrOneD 53653 Specdb::NmrOneD 53654 Specdb::NmrOneD 53655 Specdb::NmrOneD 53656 Specdb::NmrOneD 53657 Specdb::NmrOneD 53658 Specdb::NmrOneD 53659 Specdb::NmrOneD 53660 Specdb::NmrOneD 53661 HMDB11635 #<Reference:0x000055ce323f1320> #<Reference:0x000055ce323f1168> 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 Milk (Cow) Type 2 specific 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