pyrocatechol sulfate (CHEBI:68505)

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ChEBI Name	pyrocatechol sulfate

ChEBI ID	CHEBI:68505

Definition	An aryl sulfate that is catechol with one of the two hydroxy groups substituted by a sulfo group.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C6H6O5S

Net Charge

Average Mass

190.175

Monoisotopic Mass

189.99359

InChI

InChI=1S/C6H6O5S/c7-5-3-1-2-4-6(5)11-12(8,9)10/h1-4,7H,(H,8,9,10)

InChIKey

MZPWKJZDOCIALD-UHFFFAOYSA-N

SMILES

C=1C=CC=C(C1OS(O)(=O)=O)O

Roles Classification
Biological Role(s):	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	pyrocatechol sulfate (CHEBI:68505) has functional parent catechol (CHEBI:18135) pyrocatechol sulfate (CHEBI:68505) has role xenobiotic (CHEBI:35703) pyrocatechol sulfate (CHEBI:68505) is a aryl sulfate (CHEBI:37919) pyrocatechol sulfate (CHEBI:68505) is a phenols (CHEBI:33853) pyrocatechol sulfate (CHEBI:68505) is conjugate acid of pyrocatechol sulfate(1−) (CHEBI:133072)

Incoming	pyrocatechol sulfate(1−) (CHEBI:133072) is conjugate base of pyrocatechol sulfate (CHEBI:68505)

IUPAC Name

2-hydroxyphenyl hydrogen sulfate

Synonyms	Sources
(2-hydroxyphenyl)oxidanesulfonic acid	HMDB
1,2-Benzenediol mono(hydrogen sulfate)	ChemIDplus
1,2-Benzenediol mono(hydrogen sulphate)	HMDB
catechol monosulfate	HMDB
catechol sulfate	HMDB
pyrocatechol hydrogen sulfate	ChEBI
pyrocatechol monosulfate	HMDB

Citation	Type	Source
22770225	PubMed citation	Europe PMC

Last Modified

18 August 2016