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CHEBI:27905 - phenyl hydrogen sulfate

ChEBI IDCHEBI:27905
ChEBI Namephenyl hydrogen sulfate
Stars
DefinitionAn aryl sulfate that is phenol bearing an O-sulfo substituent.
Secondary ChEBI IDsCHEBI:8072, CHEBI:25967
Last Modified23 October 2015
DownloadsMolfile
FormulaC6H6O4S
Net Charge0
Average Mass174.177
Monoisotopic Mass173.99868
SMILESO=S(=O)(O)Oc1ccccc1
InChIInChI=1S/C6H6O4S/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H,7,8,9)
InChIKeyCTYRPMDGLDAWRQ-UHFFFAOYSA-N
Roles Classification
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
phenyl sulfate (CHEBI:85289) is conjugate base of phenyl hydrogen sulfate (CHEBI:27905)
IUPAC Name 
phenyl hydrogen sulfate
Synonyms  Source
Phenol sulfateKEGG COMPOUND
phenylsulfateChemIDplus
Phenol sulfateKEGG COMPOUND
Manual XrefsDatabases
C02180KEGG COMPOUND
HMDB0060015HMDB
Registry NumbersSources
Reaxys:2047161Reaxys
CAS:937-34-8KEGG COMPOUND
CAS:937-34-8ChemIDplus
Citations