1.02011-09-21 01:38:07 UTC2019-11-26 03:21:27 UTCFDB028333p-Cresol sulfatep-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 sulfate4-Cresol sulfuric acid4-Cresol sulphate4-Cresol sulphuric acidmono(4-methylphenyl) Sulfatep-Cresol sulfatep-Cresol sulphateP-Cresyl sulfateP-Cresyl sulphateP-Cresyl-sulfateP-Cresyl-sulphateP-Cresylsulfatep-Cresylsulphatep-Tolyl sulfate (6CI,7CI)P-Tolyl sulphate (6ci,7ci)para-Cresol sulfatePara-cresol sulphateSulfate mono-P-tolyl esterSulfuric acid mono-P-tolyl estersulfuric acid mono(p-tolyl) ester (8CI)Sulphate mono-P-tolyl esterSulphuric acid mono-P-tolyl esterC7H8O3S172.202172.0194148124-methylbenzene-1-sulfonic acidtoluenesulfonic acid3233-58-7CC1=CC=C(C=C1)S(O)(=O)=OInChI=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-MethylbenzenesulfonatesOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzenesulfonic acids and derivativesAromatic homomonocyclic compounds1-sulfo,2-unsubstituted aromatic compoundsBenzenesulfonyl compoundsHydrocarbon derivativesOrganic oxidesOrganosulfonic acidsSulfonylsTosyl compounds1-sulfo,2-unsubstituted aromatic compoundAromatic homomonocyclic compoundArylsulfonic acid or derivativesBenzenesulfonyl groupHydrocarbon derivativeOrganic oxideOrganic oxygen compoundOrganic sulfonic acid or derivativesOrganosulfonic acidOrganosulfonic acid or derivativesOrganosulfur compoundP-methylbenzenesulfonateSulfonylTolueneTosyl compoundarenesulfonic acidtoluenesSolidlogp-0.88logs-1.87solubility2.30e+00 g/llogp1.67pka_strongest_acidic-2.1iupac4-methylbenzene-1-sulfonic acidaverage_mass172.202mono_mass172.019414812smilesCC1=CC=C(C=C1)S(O)(=O)=OformulaC7H8O3SinchiInChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)inchikeyJOXIMZWYDAKGHI-UHFFFAOYSA-Npolar_surface_area54.37refractivity41.72polarizability16.55rotatable_bond_count1acceptor_count3donor_count1physiological_charge-1formal_charge0Specdb::CMs32254Specdb::CMs34373Specdb::CMs102422Specdb::CMs172573Specdb::NmrOneD53642Specdb::NmrOneD53643Specdb::NmrOneD53644Specdb::NmrOneD53645Specdb::NmrOneD53646Specdb::NmrOneD53647Specdb::NmrOneD53648Specdb::NmrOneD53649Specdb::NmrOneD53650Specdb::NmrOneD53651Specdb::NmrOneD53652Specdb::NmrOneD53653Specdb::NmrOneD53654Specdb::NmrOneD53655Specdb::NmrOneD53656Specdb::NmrOneD53657Specdb::NmrOneD53658Specdb::NmrOneD53659Specdb::NmrOneD53660Specdb::NmrOneD53661Specdb::MsMs78687Specdb::MsMs78688Specdb::MsMs78689Specdb::MsMs139107Specdb::MsMs139108Specdb::MsMs139109Specdb::MsMs2231070Specdb::MsMs2233501Specdb::MsMs2235452Specdb::MsMs2236163Specdb::MsMs2237236Specdb::MsMs2244388Specdb::MsMs2245704Specdb::MsMs2246555Specdb::MsMs2247749Specdb::MsMs2248650Specdb::MsMs2250661Specdb::MsMs2251748Specdb::MsMs3224032Specdb::MsMs3224033Specdb::MsMs3224034Specdb::MsMs3224035Specdb::MsMs3224036Specdb::MsMs3224037HMDB11635#<Reference:0x0000555675100790>#<Reference:0x00005556751005d8>AnatidaeType 1specificAnatidae8830BeefaloType 1specificBos taurus X Bison bison297284BisonType 1specificBison bison9901BuffaloType 1specificBubalus bubalis89462Cattle (Beef, Veal)Type 1specificBos taurus9913ChickenType 1specificGallus gallus9031Columbidae (Dove, Pigeon)Type 1specificColumbidae8930DeerType 1specificCervidae9850Domestic goatType 1specificCapra aegagrus hircus9925Domestic pigType 1specificSus scrofa domestica9825ElkType 1specificCervus canadensis1574408EmuType 1specificDromaius novaehollandiae8790European rabbitType 1specificOryctolagus9984Greylag gooseType 1specificAnser anser8843Guinea henType 1specificNumida meleagris8996HorseType 1specificEquus caballus9796Mallard duckType 1specificAnas platyrhynchos8839Milk (Cow)Type 2specificMountain hareType 1specificLepus timidus62621Mule deerType 1specificOdocoileus9871OstrichType 1specificStruthio camelus8801PheasantType 1specificPhasianus colchicus9054QuailType 1specificPhasianidae9005RabbitType 1specificLeporidae9979Rock ptarmiganType 1specificLagopus muta64668Sheep (Mutton, Lamb)Type 1specificOvis aries9940SquabType 1specificColumba8931TurkeyType 1specificMeleagris gallopavo9103Velvet duckType 1specificMelanitta fusca371864Wild boarType 1specificSus scrofa9823