CHEBI:27905 - phenyl hydrogen sulfate

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ChEBI Name phenyl hydrogen sulfate ChEBI ID CHEBI:27905 Definition An aryl sulfate that is phenol bearing an O-sulfo substituent. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:8072, CHEBI:25967 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 C6H6O4S Net Charge 0 Average Mass 174.17544 Monoisotopic Mass 173.99868 InChI InChI=1S/C6H6O4S/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H,7,8,9) InChIKey CTYRPMDGLDAWRQ-UHFFFAOYSA-N SMILES OS(=O)(=O)Oc1ccccc1 Roles Classification Biological Role(s): human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. View more via ChEBI Ontology ChEBI Ontology Outgoing phenyl hydrogen sulfate (CHEBI:27905) has functional parent phenol (CHEBI:15882) phenyl hydrogen sulfate (CHEBI:27905) has role human xenobiotic metabolite (CHEBI:76967) phenyl hydrogen sulfate (CHEBI:27905) is a aryl sulfate (CHEBI:37919) phenyl hydrogen sulfate (CHEBI:27905) is conjugate acid of phenyl sulfate (CHEBI:85289) Incoming phenyl sulfate (CHEBI:85289) is conjugate base of phenyl hydrogen sulfate (CHEBI:27905) IUPAC Name phenyl hydrogen sulfate Synonyms Sources Phenol sulfate KEGG COMPOUND Phenol sulfate KEGG COMPOUND phenylsulfate ChemIDplus Manual Xrefs Databases C02180 KEGG COMPOUND HMDB0060015 HMDB View more database links Registry Numbers Types Sources 2047161 Reaxys Registry Number Reaxys 937-34-8 CAS Registry Number KEGG COMPOUND 937-34-8 CAS Registry Number ChemIDplus Citations Types Sources 12119069 PubMed citation Europe PMC 22770225 PubMed citation Europe PMC 22827565 PubMed citation Europe PMC 25041144 PubMed citation Europe PMC Last Modified 23 October 2015