MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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2-phenylethylamine

	Properties	Image
MNX_ID	MNXM660
reference	chebi:225237
formula	C₈H₁₂N
global charge	1
mol weight	122.191
InChIKey	BHHGXPLMPWCGHP-UHFFFAOYSA-O
InChI	InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2/p+1
SMILES	[NH3+]CCC1=CC=CC=C1

MNX internals

InChI (mnx)	InChI=1/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:8]([CH2:6][CH2:7][NH2:9])[CH:5]=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	20
in models (compartimentalized)	12

Similar chemical compounds in external resources
Identifier	Description
CHEBI:225237 chebi:225237 BHHGXPLMPWCGHP-UHFFFAOYSA-O	2-phenylethylamine 2-phenylethanaminium 2-phenylethylammonium Phenethyl-ammonium
sabiork.compound:2769 sabiorkM:2769 BHHGXPLMPWCGHP-UHFFFAOYSA-N	2-Phenylethylamine Phenethylamine Phenylethylamine beta-Phenylethylamine
vmhM:peamn vmhmetabolite:peamn BHHGXPLMPWCGHP-UHFFFAOYSA-O	2-phenylethanamine 2-phenylethan-1-amine
reactome:R-ALL-391200 reactomeM:R-ALL-391200 reactome:R-ALL-500605 reactomeM:R-ALL-500605 CHEBI:18397 chebi:18397 BHHGXPLMPWCGHP-UHFFFAOYSA-N	2-phenylethylamine 2-Phenylethylamine 2-phenylethanamine Phenethylamine Phenylethylamine benzeneethanamine beta-Phenylethylamine beta-aminoethylbenzene beta-phenethylamine
metacyc.compound:PHENYLETHYLAMINE metacycM:PHENYLETHYLAMINE BHHGXPLMPWCGHP-UHFFFAOYSA-O	2-phenylethylamine b-phenylethylamine beta-phenylethylamine phenethylamine phenylethylamine
bigg.metabolite:peamn biggM:peamn BHHGXPLMPWCGHP-UHFFFAOYSA-O	Phenethylamine
seed.compound:cpd03161 seedM:cpd03161 BHHGXPLMPWCGHP-UHFFFAOYSA-O	Phenethylamine 2-Phenylethylamine 2-phenylethylamine Phenylethylamine beta-Phenylethylamine beta-phenylethylamine peamn phenethylamine phenylethylamine
kegg.compound:C05332 keggC:C05332 BHHGXPLMPWCGHP-UHFFFAOYSA-N	Phenethylamine 2-Phenylethylamine Phenylethylamine beta-Phenylethylamine
hmdb:HMDB0012275 BHHGXPLMPWCGHP-UHFFFAOYSA-N	Phenylethylamine (2-Aminoethyl)benzene (2-Aminoethyl)polystyrene 1-Phenethylamine 1-Phenyl-2-amino-athan 1-Phenyl-2-aminoethane 1-amino-2-Phenylethane 1TNJ 1Utm 1Uto 2-Fenylethylamin 2-Phenethylamine 2-Phenyl-ethanamine 2-Phenylethanamine 2-Phenylethanamine (acd/name 4.0) 2-Phenylethylamine 2-Phenylethylamine (acd/name 4.0) 2-Phenylethylammonium chloride 2-amino-1-Phenylethane 2-amino-Fenylethan 2-phenylethan-1-amine 2-phenylethylamine Benzeneethanamine Benzeneethanamine hydrochloride Diphenethylamine sulfate Omega-phenylethylamine PEA Phenethylamine Phenethylamine conjugate acid Phenethylamine hydrobromide Phenethylamine hydrochloride Phenethylamine mesylate Phenethylamine perchlorate Phenethylamine sulfate Phenethylamine sulfate (2:1) Phenethylamine tosylate Phenethylamine, 15N-labeled CPD Phenethylamine, beta-(14)C-labeled CPD Phenethylamine, monolithium salt Polystyrene a-NH2 b-Aminoethylbenzene b-Phenethylamine b-Phenylaethylamin b-Phenylethylamine beta Phenethylamine beta-Aminoethylbenzene beta-Phenethylamine beta-Phenylaethylamin beta-Phenylethylamine beta-aminoethylbenzene beta-phenethylamine beta-phenylethylamine
CHEBI:50048 chebi:50048	phenylethylamine phenylethanamine
hmdb:HMDB0060276 hmdb:HMDB12275 hmdb:HMDB60276 chebi:14782 chebi:25965 chebi:45001 chebi:8063 biggM:M_peamn keggC:M_C05332 seedM:M_cpd03161 vmhM:M_peamn	secondary/obsolete/fantasy identifier