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CHEBI:133567 - umbelliferone sulfate(1−)
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ChEBI Name
umbelliferone sulfate(1−)
ChEBI ID
CHEBI:133567
ChEBI ASCII Name
umbelliferone sulfate(1-)
Definition
An organosulfate oxoanion that is the conjugate base of umbelliferone sulfate, obtained by deprotonation of the sulfo 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
C9H5O6S
Net Charge
-1
Average Mass
241.199
Monoisotopic Mass
240.98123
InChI
InChI=1S/C9H6O6S/c10-9-4-2-6-1-3-7(5-8(6)14-9)15-16(11,12)13/h1-5H,(H,11,12,13)/p-1
InChIKey
LJOOSFYJELZGMR-UHFFFAOYSA-M
SMILES
[O-]S(OC=1C=C2OC(C=CC2=CC1)=O)(=O)=O
Roles Classification
Biological Role
(s):
human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
umbelliferone sulfate(1−) (
CHEBI:133567
)
has role
human urinary metabolite (
CHEBI:84087
)
umbelliferone sulfate(1−) (
CHEBI:133567
)
has role
human xenobiotic metabolite (
CHEBI:76967
)
umbelliferone sulfate(1−) (
CHEBI:133567
)
has role
mouse metabolite (
CHEBI:75771
)
umbelliferone sulfate(1−) (
CHEBI:133567
)
is a
aryl sulfate oxoanion (
CHEBI:139371
)
umbelliferone sulfate(1−) (
CHEBI:133567
)
is conjugate base of
umbelliferone sulfate (
CHEBI:133565
)
Incoming
umbelliferone sulfate (
CHEBI:133565
)
is conjugate acid of
umbelliferone sulfate(1−) (
CHEBI:133567
)
IUPAC Name
2-oxo-2
H
-1-benzopyran-7-yl sulfate
Synonym
Source
7-hydroxycoumarin sulfate(1−)
ChEBI
Registry Number
Type
Source
3682740
Reaxys Registry Number
Reaxys
Last Modified
13 February 2018