CHEBI:86269 - 3-nitrotyrosine

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ChEBI Name 3-nitrotyrosine
ChEBI ID CHEBI:86269
Definition A nitrotyrosine comprising tyrosine having a nitro group at the 3-position on the phenyl ring.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C9H10N2O5
Net Charge 0
Average Mass 226.18610
Monoisotopic Mass 226.05897
InChI InChI=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)
InChIKey FBTSQILOGYXGMD-UHFFFAOYSA-N
SMILES NC(Cc1ccc(O)c(c1)[N+]([O-])=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via nitrotyrosine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-nitrotyrosine (CHEBI:86269) is a 2-nitrophenols (CHEBI:86421)
3-nitrotyrosine (CHEBI:86269) is a C-nitro compound (CHEBI:35716)
3-nitrotyrosine (CHEBI:86269) is a nitrotyrosine (CHEBI:86267)
3-nitrotyrosine (CHEBI:86269) is a non-proteinogenic α-amino acid (CHEBI:83925)
Incoming 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-nitrotyrosine IUPAC
Registry Numbers Types Sources
2219127 Reaxys Registry Number Reaxys
3604-79-3 CAS Registry Number ChemIDplus
Last Modified
17 January 2018