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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:34729 - dopamine 4-
O
-sulfate
Main
ChEBI Ontology
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ChEBI Name
dopamine 4-
O
-sulfate
ChEBI ID
CHEBI:34729
ChEBI ASCII Name
dopamine 4-O-sulfate
Definition
An aryl sulfate that is dopamine in which the phenolic hydrogen at position 4 has been replaced by a sulfo group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C8H11NO5S
Net Charge
0
Average Mass
233.243
Monoisotopic Mass
233.03579
InChI
InChI=1S/C8H11NO5S/c9-4-3-6-1-2-8(7(10)5-6)14-15(11,12)13/h1-2,5,10H,3-4,9H2,(H,11,12,13)
InChIKey
DEKNNWJXAQTLFA-UHFFFAOYSA-N
SMILES
C=1(C(=CC(=CC1)CCN)O)OS(O)(=O)=O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
Found in urine
(BTO:0001419)
. See:
PubMed
Homo sapiens
(NCBI:txid9606)
Found in blood
(UBERON:0000178)
. See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Biological Role
(s):
human blood serum metabolite
Any metabolite (endogenous or exogenous) found in human blood serum samples.
human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
dopamine 4-
O
-sulfate (
CHEBI:34729
)
has functional parent
dopamine (
CHEBI:18243
)
dopamine 4-
O
-sulfate (
CHEBI:34729
)
has role
human blood serum metabolite (
CHEBI:85234
)
dopamine 4-
O
-sulfate (
CHEBI:34729
)
has role
human urinary metabolite (
CHEBI:84087
)
dopamine 4-
O
-sulfate (
CHEBI:34729
)
is a
aryl sulfate (
CHEBI:37919
)
dopamine 4-
O
-sulfate (
CHEBI:34729
)
is a
phenols (
CHEBI:33853
)
dopamine 4-
O
-sulfate (
CHEBI:34729
)
is a
primary amino compound (
CHEBI:50994
)
dopamine 4-
O
-sulfate (
CHEBI:34729
)
is tautomer of
dopamine 4-
O
-sulfate zwitterion (
CHEBI:133529
)
Incoming
dopamine 4-
O
-sulfate zwitterion (
CHEBI:133529
)
is tautomer of
dopamine 4-
O
-sulfate (
CHEBI:34729
)
IUPAC Name
4-(2-aminoethyl)-2-hydroxyphenyl hydrogen sulfate
Synonyms
Sources
3-Hydroxytyramine-4-O-sulfate
HMDB
3-Hydroxytyramine-4-O-sulphate
HMDB
4-(2-Aminoethyl)-1,2-benzenediol 1-(hydrogen sulfate)
ChemIDplus
[4-(2-aminoethyl)-2-hydroxyphenyl]oxidanesulfonic acid
HMDB
dopamine 4-monosulfate
ChEBI
Dopamine 4-O-sulphate
HMDB
dopamine 4-sulfate
ChEBI
Manual Xrefs
Databases
C13691
KEGG COMPOUND
HMDB0004148
HMDB
LSM-37052
LINCS
View more database links
Registry Numbers
Types
Sources
38339-02-5
CAS Registry Number
KEGG COMPOUND
38339-02-5
CAS Registry Number
ChemIDplus
4456909
Reaxys Registry Number
Reaxys
Citations
Types
Sources
11383609
PubMed citation
Europe PMC
1195131
PubMed citation
Europe PMC
17548063
PubMed citation
Europe PMC
3182167
PubMed citation
Europe PMC
3193848
PubMed citation
Europe PMC
3235502
PubMed citation
Europe PMC
4055948
PubMed citation
Europe PMC
509357
PubMed citation
Europe PMC
6712357
PubMed citation
Europe PMC
Last Modified
30 September 2016