pyrocatechol sulfate(1-) (CHEBI:133072)

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ChEBI Name	pyrocatechol sulfate(1−)

ChEBI ID	CHEBI:133072

ChEBI ASCII Name	pyrocatechol sulfate(1-)

Definition	An organosulfonate oxoanion that is the conjugate base of pyrocatechol sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3.

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

Supplier Information

Download	Molfile XML SDF

Formula

C6H5O5S

Net Charge

-1

Average Mass

189.167

Monoisotopic Mass

188.98632

InChI

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

InChIKey

MZPWKJZDOCIALD-UHFFFAOYSA-M

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

IUPAC Name

2-hydroxyphenyl sulfate

Last Modified

18 August 2016