ChemicalBook--->CAS DataBase List--->17680-99-8

17680-99-8

17680-99-8 Structure

17680-99-8 Structure
IdentificationBack Directory
[Name]

P-TOLYL-BETA-D-GLUCURONIDE
[CAS]

17680-99-8
[Synonyms]

p-Cresol Glucuronide
p-Tolyl-β-D-glucuronide
p-Tolyl-β-D-glucuronic acid
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(p-tolyloxy)tetrahydro-2H-pyran-2-carboxylic acid
[Molecular Formula]

C13H16O7
[MDL Number]

MFCD08277028
[MOL File]

17680-99-8.mol
[Molecular Weight]

284.26
Chemical PropertiesBack Directory
[Melting point ]

138-141°C
[Boiling point ]

549.7±50.0 °C(Predicted)
[density ]

1.524±0.06 g/cm3(Predicted)
[storage temp. ]

−20°C
[solubility ]

H2O: 50 mg/mL, soluble
[form ]

white powder
[pka]

2.80±0.70(Predicted)
[color ]

White
[biological source]

synthetic
[Major Application]

metabolomics
[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
[InChIKey]

JPAUCQAJHLSMQW-XPORZQOISA-N
[SMILES]

O([C@@H]1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O)C2=CC=C(C)C=C2
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312-P330-P501
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

P-TOLYL-BETA-D-GLUCURONIDE is a metabolite of o-Cresol (C781910), which is a compound used as a disinfectant and have also been used as antiseptic in surgery.
[Uses]

p-Cresol Glucuronide, is a metabolite of o-Cresol (C781910), which is a compound used as a disinfectant and have also been used as antiseptic in surgery.
[Definition]

P-TOLYL-BETA-D-GLUCURONIDE is a glucosiduronic acid that is beta-D-glucuronic acid in which the anomeric hydroxyl hydrogen is replaced by a p-tolyl group.
[Biological Activity]

p-Cresol glucuronide is generated through a process called glucuronidationwhich is a phase II metabolism reaction in the liver. In this processp-cresola metabolite produced by the gut microbiota during the breakdown of dietary tyrosine and phenylalanineundergoes conjugation with glucuronic acid. This conjugation is catalyzed by the enzyme UDP-glucuronosyltransferase (UGT) to form p-cresol glucuronide. The resulting glucuronide metabolite is then excreted in the urine. This process plays a crucial role in the elimination of p-cresol from the body.
[storage]

-20°C
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