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CHEBI:133663 - thymol sulfate(1−)
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ChEBI Name
thymol sulfate(1−)
ChEBI ID
CHEBI:133663
ChEBI ASCII Name
thymol sulfate(1-)
Definition
A phenyl sulfate oxoanion that is the conjugate base of thymol sulfate, obtained by deprotonation of the sulfate group; major species at pH 7.3.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C10H13O4S
Net Charge
-1
Average Mass
229.274
Monoisotopic Mass
229.05400
InChI
InChI=1S/C10H14O4S/c1-7(2)9-5-4-8(3)6-10(9)14-15(11,12)13/h4-7H,1-3H3,(H,11,12,13)/p-1
InChIKey
NODSEPOUFZPJEQ-UHFFFAOYSA-M
SMILES
C1(=C(C=C(C)C=C1)OS([O-])(=O)=O)C(C)C
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
thymol sulfate(1−) (
CHEBI:133663
)
has functional parent
thymol (
CHEBI:27607
)
thymol sulfate(1−) (
CHEBI:133663
)
has role
human xenobiotic metabolite (
CHEBI:76967
)
thymol sulfate(1−) (
CHEBI:133663
)
is a
phenyl sulfate oxoanion (
CHEBI:140317
)
thymol sulfate(1−) (
CHEBI:133663
)
is conjugate base of
thymol sulfate (
CHEBI:82911
)
Incoming
thymol sulfate (
CHEBI:82911
)
is conjugate acid of
thymol sulfate(1−) (
CHEBI:133663
)
IUPAC Name
5-methyl-2-(propan-2-yl)phenyl sulfate
Synonym
Source
thymol sulfate
ChEBI
Manual Xref
Database
C09908
KEGG COMPOUND
View more database links
Registry Number
Type
Source
89-83-8
CAS Registry Number
ChemIDplus
Last Modified
04 April 2018