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CHEBI:86269 - 3-nitrotyrosine

ChEBI IDCHEBI:86269
ChEBI Name3-nitrotyrosine
Stars
DefinitionA nitrotyrosine comprising tyrosine having a nitro group at the 3-position on the phenyl ring.
Last Modified17 January 2018
Submitternamrata
DownloadsMolfile
FormulaC9H10N2O5
Net Charge0
Average Mass226.188
Monoisotopic Mass226.05897
SMILESNC(Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O
InChIInChI=1S/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)
InChIKeyFBTSQILOGYXGMD-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)
3-nitrotyrosine (CHEBI:86269) is a C-nitro compound (CHEBI:35716)
3-nitrotyrosine (CHEBI:86269) is a 2-nitrophenols (CHEBI:86421)
3-nitrotyrosine (CHEBI:86269) is a nitrotyrosine (CHEBI:86267)
3-nitrotyrosine (CHEBI:86269) is a non-proteinogenic α-amino acid (CHEBI:83925)
Incoming Relation(s)
3-nitro-D-tyrosine (CHEBI:86270) is a 3-nitrotyrosine (CHEBI:86269)
3-nitro-L-tyrosine (CHEBI:44454) is a 3-nitrotyrosine (CHEBI:86269)
Synonym  Source
3-nitrotyrosineIUPAC
Registry NumbersSources
Reaxys:2219127Reaxys
CAS:3604-79-3ChemIDplus