CHEBI:87986 - p-tolyl β-D-glucuronide

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ChEBI Name p-tolyl β-D-glucuronide ChEBI ID CHEBI:87986 ChEBI ASCII Name p-tolyl beta-D-glucuronide Definition A glucosiduronic acid that is β-D-glucuronic acid in which the anomeric hydroxyl hydrogen is replaced by a p-tolyl group. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C13H16O7 Net Charge 0 Average Mass 284.262 Monoisotopic Mass 284.08960 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 InChIKey JPAUCQAJHLSMQW-XPORZQOISA-N SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC=C(C=C2)C)C(O)=O Metabolite of Species Details Mus musculus (NCBI:txid10090) See: PubMed Rattus norvegicus (NCBI:txid10116) See: MetaboLights Study Roles Classification Biological Role(s): rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). View more via ChEBI Ontology ChEBI Ontology Outgoing p-tolyl β-D-glucuronide (CHEBI:87986) has role mouse metabolite (CHEBI:75771) p-tolyl β-D-glucuronide (CHEBI:87986) has role rat metabolite (CHEBI:86264) p-tolyl β-D-glucuronide (CHEBI:87986) is a glucosiduronic acid (CHEBI:24302) p-tolyl β-D-glucuronide (CHEBI:87986) is conjugate acid of p-tolyl β-D-glucuronide(1−) (CHEBI:133576) Incoming p-tolyl β-D-glucuronide(1−) (CHEBI:133576) is conjugate base of p-tolyl β-D-glucuronide (CHEBI:87986) IUPAC Name 4-methylphenyl β-D-glucopyranosiduronic acid Synonyms Sources (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methylphenoxy)oxane-2-carboxylic acid HMDB Cresol glucuronide HMDB Cresyl glucuronide HMDB Cresylglucuronide HMDB p-Cresol glucuronide HMDB p-Cresyl glucuronide HMDB p-Cresyl-beta-D-glucuronide HMDB p-Cresylglucuronide HMDB Manual Xref Database HMDB0011686 HMDB View more database links Registry Numbers Types Sources 17680-99-8 CAS Registry Number ChemIDplus 30764 Reaxys Registry Number Reaxys Citations Types Sources 15314235 PubMed citation Europe PMC 16337285 PubMed citation Europe PMC 19810771 PubMed citation Europe PMC 19961175 PubMed citation Europe PMC 21620604 PubMed citation Europe PMC 22089538 PubMed citation Europe PMC 22520047 PubMed citation Europe PMC 23826225 PubMed citation Europe PMC 25131851 PubMed citation Europe PMC Last Modified 03 October 2016