CHEBI:17134 - octopamine

ChEBI IDCHEBI:17134
ChEBI Nameoctopamine
Stars
DefinitionA member of the class of phenylethanolamines that is phenol which is substituted at the para- position by a 2-amino-1-hydroxyethyl group. A biogenic phenylethanolamine which has been found to act as a neurotransmitter, neurohormone or neuromodulator in invertebrates.
Secondary ChEBI IDsCHEBI:571, CHEBI:11191, CHEBI:25655
Last Modified20 November 2020
DownloadsMolfile
FormulaC8H11NO2
Net Charge0
Average Mass153.181
Monoisotopic Mass153.07898
SMILESNCC(O)c1ccc(O)cc1
InChIInChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2
InChIKeyQHGUCRYDKWKLMG-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
neurotransmitter  An endogenous compound that is used to transmit information across the synapse between a neuron and another cell.
ChEBI Ontology
Outgoing Relation(s)
octopamine (CHEBI:17134) has role neurotransmitter (CHEBI:25512)
octopamine (CHEBI:17134) is a phenylethanolamines (CHEBI:25990)
octopamine (CHEBI:17134) is a tyramines (CHEBI:27175)
octopamine (CHEBI:17134) is conjugate base of octopaminium (CHEBI:58025)
Incoming Relation(s)
N-acetyloctopamine (CHEBI:125358) has functional parent octopamine (CHEBI:17134)
(R)-octopamine (CHEBI:44715) is a octopamine (CHEBI:17134)
(S)-octopamine (CHEBI:44808) is a octopamine (CHEBI:17134)
octopaminium (CHEBI:58025) is conjugate acid of octopamine (CHEBI:17134)
IUPAC Name 
4-(2-amino-1-hydroxyethyl)phenol
Synonyms  Source
1-(4-Hydroxyphenyl)-2-aminoethanolKEGG COMPOUND
OctopamineKEGG COMPOUND
p-HydroxyphenylethanolamineKEGG COMPOUND
α-(aminomethyl)-p-hydroxybenzyl alcoholChemIDplus
1-(p-hydroxyphenyl)-2-aminoethanolChemIDplus
β-hydroxytyramineChEBI
Manual XrefsDatabases
C04227KEGG COMPOUND
LSM-4975LINCS
3396DrugCentral
Registry NumbersSources
Beilstein:1211019Beilstein
CAS:104-14-3KEGG COMPOUND
CAS:104-14-3ChemIDplus