CHEBI:225237 - 2-phenylethanaminium

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-phenylethanaminium
ChEBI ID CHEBI:225237
Definition The cation obtained by protonation of the amino group of 2-phenylethylamine.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:45001
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C8H12N
Net Charge +1
Average Mass 122.18760
Monoisotopic Mass 122.097
InChI InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2/p+1
InChIKey BHHGXPLMPWCGHP-UHFFFAOYSA-O
SMILES [NH3+]CCc1ccccc1
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-phenylethanaminium (CHEBI:225237) has role Escherichia coli metabolite (CHEBI:76971)
2-phenylethanaminium (CHEBI:225237) has role human metabolite (CHEBI:77746)
2-phenylethanaminium (CHEBI:225237) is a ammonium ion (CHEBI:35274)
2-phenylethanaminium (CHEBI:225237) is conjugate acid of 2-phenylethylamine (CHEBI:18397)
Incoming 2-phenylethylamine (CHEBI:18397) is conjugate base of 2-phenylethanaminium (CHEBI:225237)
IUPAC Name
2-phenylethanaminium
Synonyms Sources
2-phenylethylamine UniProt
2-phenylethylammonium ChEBI
Phenethyl-ammonium ChEMBL
Manual Xref Database
PEA PDBeChem
View more database links
Registry Number Type Source
3539103 Beilstein Registry Number Beilstein
Citation Waiting for Citations Type Source
10476872 PubMed citation ChEMBL
Last Modified
20 June 2018