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ChEBI
> Main
CHEBI:37946 - dopamine 3-
O
-sulfate
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ChEBI Ontology
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ChEBI Name
dopamine 3-
O
-sulfate
ChEBI ID
CHEBI:37946
ChEBI ASCII Name
dopamine 3-O-sulfate
Definition
An aryl sulfate that is dopamine in which the phenolic hydrogen at position 3 has been replaced by a sulfo group.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:34728, CHEBI:32705
Supplier Information
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Formulae
C8H11NO5S
C8H11NO5S
Net Charge
0
Average Mass
233.243
Monoisotopic Mass
233.03579
InChI
InChI=1S/C8H11NO5S/c9-4-3-6-1-2-7(10)8(5-6)14-15(11,12)13/h1-2,5,10H,3-4,9H2,(H,11,12,13)
InChIKey
NZKRYJGNYPYXJZ-UHFFFAOYSA-N
SMILES
OS(OC1=C(C=CC(=C1)CCN)O)(=O)=O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
See:
DOI
Homo sapiens
(NCBI:txid9606)
Found in blood
(UBERON:0000178)
. See:
PubMed
Homo sapiens
(NCBI:txid9606)
Found in urine
(BTO:0001419)
. 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 3-
O
-sulfate (
CHEBI:37946
)
has functional parent
dopamine (
CHEBI:18243
)
dopamine 3-
O
-sulfate (
CHEBI:37946
)
has role
human blood serum metabolite (
CHEBI:85234
)
dopamine 3-
O
-sulfate (
CHEBI:37946
)
has role
human urinary metabolite (
CHEBI:84087
)
dopamine 3-
O
-sulfate (
CHEBI:37946
)
is a
aryl sulfate (
CHEBI:37919
)
dopamine 3-
O
-sulfate (
CHEBI:37946
)
is a
phenols (
CHEBI:33853
)
dopamine 3-
O
-sulfate (
CHEBI:37946
)
is a
primary amino compound (
CHEBI:50994
)
dopamine 3-
O
-sulfate (
CHEBI:37946
)
is tautomer of
dopamine 3-
O
-sulfate zwitterion (
CHEBI:133524
)
Incoming
dopamine 3-
O
-sulfate zwitterion (
CHEBI:133524
)
is tautomer of
dopamine 3-
O
-sulfate (
CHEBI:37946
)
IUPAC Name
5-(2-aminoethyl)-2-hydroxyphenyl hydrogen sulfate
Synonyms
Sources
4-(2-aminoethyl)-1,2-benzenediol 2-(hydrogen sulfate)
ChemIDplus
[5-(2-aminoethyl)-2-hydroxyphenyl]oxidanesulfonic acid
HMDB
dopamine 3-monosulfate
ChEBI
Dopamine 3-O-sulfate
KEGG COMPOUND
Dopamine 3-sulfate
KEGG COMPOUND
Manual Xrefs
Databases
C13690
KEGG COMPOUND
CPD-7649
MetaCyc
HMDB0006275
HMDB
LSM-37139
LINCS
View more database links
Registry Numbers
Types
Sources
2738155
Beilstein Registry Number
Beilstein
2738155
Reaxys Registry Number
Reaxys
51317-41-0
CAS Registry Number
ChemIDplus
Citations
Types
Sources
1195131
PubMed citation
Europe PMC
17548063
PubMed citation
Europe PMC
4055948
PubMed citation
Europe PMC
571950
PubMed citation
Europe PMC
6496664
PubMed citation
Europe PMC
938583
PubMed citation
Europe PMC
Last Modified
30 September 2016