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CHEBI:86268 - 2-nitrotyrosine

ChEBI IDCHEBI:86268
ChEBI Name2-nitrotyrosine
Stars
DefinitionA non-proteinogenic α-amino acid that is tyrosine substituted by a nitro group at position 2.
Last Modified21 October 2015
Submitternamrata
DownloadsMolfile
FormulaC9H10N2O5
Net Charge0
Average Mass226.188
Monoisotopic Mass226.05897
SMILESNC(Cc1ccc(O)cc1[N+](=O)[O-])C(=O)O
InChIInChI=1S/C9H10N2O5/c10-7(9(13)14)3-5-1-2-6(12)4-8(5)11(15)16/h1-2,4,7,12H,3,10H2,(H,13,14)
InChIKeyRCZUDMZUWULMID-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
2-nitrotyrosine (CHEBI:86268) is a 3-nitrophenols (CHEBI:88313)
2-nitrotyrosine (CHEBI:86268) is a nitrotyrosine (CHEBI:86267)
IUPAC Name 
2-nitrotyrosine
Registry NumbersSources
Reaxys:2868089Reaxys