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CHEBI:133072 - pyrocatechol sulfate(1−)

ChEBI IDCHEBI:133072
ChEBI Namepyrocatechol sulfate(1−)
Stars
ASCII Namepyrocatechol sulfate(1-)
DefinitionAn organosulfonate oxoanion that is the conjugate base of pyrocatechol sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3.
Last Modified18 August 2016
SubmitterSteve
DownloadsMolfile
FormulaC6H5O5S
Net Charge-1
Average Mass189.168
Monoisotopic Mass188.98632
SMILESO=S(=O)([O-])Oc1ccccc1O
InChIInChI=1S/C6H6O5S/c7-5-3-1-2-4-6(5)11-12(8,9)10/h1-4,7H,(H,8,9,10)/p-1
InChIKeyMZPWKJZDOCIALD-UHFFFAOYSA-M
Roles Classification
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
pyrocatechol sulfate(1−) (CHEBI:133072) has role xenobiotic (CHEBI:35703)
pyrocatechol sulfate(1−) (CHEBI:133072) is a organosulfonate oxoanion (CHEBI:33554)
pyrocatechol sulfate(1−) (CHEBI:133072) is conjugate base of pyrocatechol sulfate (CHEBI:68505)
Incoming Relation(s)
pyrocatechol sulfate (CHEBI:68505) is conjugate acid of pyrocatechol sulfate(1−) (CHEBI:133072)
IUPAC Name 
2-hydroxyphenyl sulfate
Synonyms  Source
catechol monosulfate(1−)ChEBI
pyrocatechol monosulfate(1−)ChEBI
catechol sulfate(1−)ChEBI
catechol sulfateChEBI