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CHEBI:68561 - N-acetyltyrosine

ChEBI IDCHEBI:68561
ChEBI NameN-acetyltyrosine
Stars
ASCII NameN-acetyltyrosine
DefinitionAn N-acetyl-amino acid that is tyrosine with an amine hydrogen substituted by an acetyl group.
Last Modified3 October 2016
Submittermwilliams
DownloadsMolfile
FormulaC11H13NO4
Net Charge0
Average Mass223.228
Monoisotopic Mass223.08446
SMILESCC(=O)NC(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16)
InChIKeyCAHKINHBCWCHCF-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
N-acetyltyrosine (CHEBI:68561) has functional parent tyrosine (CHEBI:18186)
N-acetyltyrosine (CHEBI:68561) has role human urinary metabolite (CHEBI:84087)
N-acetyltyrosine (CHEBI:68561) is a N-acetyl-amino acid (CHEBI:21575)
N-acetyltyrosine (CHEBI:68561) is a phenols (CHEBI:33853)
N-acetyltyrosine (CHEBI:68561) is a tyrosine derivative (CHEBI:62761)
Incoming Relation(s)
N-acetyl-L-tyrosine (CHEBI:21563) is a N-acetyltyrosine (CHEBI:68561)
IUPAC Names 
2-(acetylamino)-3-(4-hydroxyphenyl)propanoic acid
N-acetyltyrosine
Synonyms  Source
N-acetyl-4-hydroxyphenylalanineHMDB
N-acetyl-DL-tyrosineChEBI
Manual XrefsDatabases
HMDB0000866HMDB
Registry NumbersSources
Reaxys:3206104Reaxys
Citations