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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:58025 - octopaminium
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ChEBI Ontology
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ChEBI Name
octopaminium
ChEBI ID
CHEBI:58025
Definition
The conjugate acid of octopamine; major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C8H12NO2
Net Charge
+1
Average Mass
154.18640
Monoisotopic Mass
154.08626
InChI
InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/p+1
InChIKey
QHGUCRYDKWKLMG-UHFFFAOYSA-O
SMILES
[NH3+]CC(O)c1ccc(O)cc1
ChEBI Ontology
Outgoing
octopaminium (
CHEBI:58025
)
is a
ammonium ion derivative (
CHEBI:35274
)
octopaminium (
CHEBI:58025
)
is a
organic cation (
CHEBI:25697
)
octopaminium (
CHEBI:58025
)
is conjugate acid of
octopamine (
CHEBI:17134
)
Incoming
(2
R
)-4-(2-ammonio-1-hydroxyethyl)phenol (
CHEBI:141486
)
is a
octopaminium (
CHEBI:58025
)
octopamine (
CHEBI:17134
)
is conjugate base of
octopaminium (
CHEBI:58025
)
IUPAC Name
2-hydroxy-2-(4-hydroxyphenyl)ethanaminium
Synonyms
Sources
2-hydroxy-2-(4-hydroxyphenyl)ethan-1-aminium
ChEBI
4-(2-ammonio-1-hydroxyethyl)phenol
ChEBI
4-(2-azaniumyl-1-hydroxyethyl)phenol
ChEBI
octopamine
UniProt
octopaminium cation
ChEBI
octopaminium(1+)
ChEBI
Last Modified
20 November 2020