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

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phenylethanolamine

	Properties	Image
MNX_ID	MNXM4776
reference	chebi:57741
formula	C₈H₁₂NO
global charge	1
mol weight	138.19
InChIKey	ULSIYEODSMZIPX-UHFFFAOYSA-O
InChI	InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2/p+1
SMILES	[NH3+]CC(O)C1=CC=CC=C1

MNX internals

InChI (mnx)	InChI=1/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2/t8?
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:7]([CH:8]([CH2:6][NH2:9])[OH:10])[CH:5]=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57741 chebi:57741 ULSIYEODSMZIPX-UHFFFAOYSA-O	phenylethanolamine 2-ammonio-1-phenylethanol 2-azaniumyl-1-phenylethanol 2-hydroxy-2-phenylethan-1-aminium 2-hydroxy-2-phenylethanaminium phenylethanolaminium phenylethanolaminium cation
hmdb:HMDB0001065 ULSIYEODSMZIPX-UHFFFAOYSA-N	2-Hydroxyphenethylamine 2 Hydroxyphenethylamine 2 Phenylethanolamine 2-Amino-1-phenylethanol 2-Hydroxy-2-phenylethylamine 2-Phenyl-2-hydroxyethylamine 2-Phenylethanolamine 2-amino-1-Phenyl-1-ethanol 2-amino-1-Phenylethanol-1 2-amino-1-phenylethan-1-ol Bisnorephedrine DL-beta-Phenyl-beta-hydroxyethylamine Hydroxyethylamine Phenethanolamine Phenylethanolamine a-(Aminomethyl)benzyl alcohol alpha-(Aminomethyl)benzyl alcohol alpha-(aminomethyl)benzyl alcohol b-Hydroxy-b-phenylethylamine b-Hydroxyphenethylamine b-Phenethanolamine b-Phenylethanolamine beta Hydroxyphenethylamine beta Phenylethanolamine beta phenylethanolamine beta-Hydroxy-beta-phenyl-ethylamine beta-Hydroxy-beta-phenylethylamine beta-Hydroxy-phenethylamine beta-Hydroxyphenethylamine beta-Hydroxyphenylethylamine beta-Phenethanolamine beta-Phenylethanolamine beta-hydroxy-beta-phenylethylamine beta-hydroxyphenethylamine beta-phenethanolamine beta-phenylethanolamine
sabiork.compound:2511 sabiorkM:2511 kegg.compound:C02735 keggC:C02735 ULSIYEODSMZIPX-UHFFFAOYSA-N	Phenylethanolamine 2-Amino-1-phenylethanol
seed.compound:cpd01774 seedM:cpd01774 ULSIYEODSMZIPX-UHFFFAOYSA-O	Phenylethanolamine 2-Amino-1-phenylethanol phenylethanolamine
hmdb:HMDB0062626 ULSIYEODSMZIPX-UHFFFAOYSA-O	Phenylethanolaminium 2-Ammonio-1-phenylethanol 2-Azaniumyl-1-phenylethanol 2-Hydroxy-2-phenylethan-1-aminium 2-hydroxy-2-phenylethan-1-aminium Phenylethanolamine Phenylethanolaminium cation phenylethanolaminium
envipath:...e5a37b3ce906 envipathM:...e5a37b3ce906 ULSIYEODSMZIPX-UHFFFAOYSA-N	compound 0042526
CHEBI:16343 chebi:16343 ULSIYEODSMZIPX-UHFFFAOYSA-N	phenylethanolamine 2-Amino-1-phenylethanol 2-Hydroxy-2-phenylethylamine 2-Hydroxyphenethylamine 2-Phenyl-2-hydroxyethylamine 2-amino-1-phenylethanol Bisnorephedrine Phenethanolamine Phenylethanolamine alpha-(Aminomethyl)benzyl alcohol alpha-(aminomethyl)benzyl alcohol beta-Hydroxy-beta-phenylethylamine beta-Hydroxyphenethylamine beta-Phenethanolamine beta-Phenylethanolamine
metacyc.compound:PHENYLETHANOLAMINE metacycM:PHENYLETHANOLAMINE ULSIYEODSMZIPX-UHFFFAOYSA-O	phenylethanolamine 2-Hydroxyphenethylamine 2-amino-1-phenylethanol 2-hydroxy-2-phenylethylamine 2-phenyl-2-hydroxyethylamine alpha-(aminomethyl)benzyl alcohol beta-Hydroxyphenethylamine beta-hydroxy-beta-phenylethylamine beta-phenethanolamine beta-phenylethanolamine bisnorephedrine phenethanolamine
hmdb:HMDB01065 hmdb:HMDB62626 chebi:14781 chebi:25989 chebi:8095 keggC:M_C02735 seedM:M_cpd01774	secondary/obsolete/fantasy identifier