CHEBI:44454 - 3-nitro-L-tyrosine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-nitro-L-tyrosine
ChEBI ID CHEBI:44454
ChEBI ASCII Name 3-nitro-L-tyrosine
Definition A 3-nitrotyrosine comprising L-tyrosine having a nitro group at the 3-position on the phenyl ring.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:35130, CHEBI:44450
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C9H10N2O5
Net Charge 0
Average Mass 226.18618
Monoisotopic Mass 226.059
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)/t6-/m0/s1
InChIKey FBTSQILOGYXGMD-LURJTMIESA-N
SMILES N[C@@H](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 )
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via L-alpha-amino acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-nitro-L-tyrosine (CHEBI:44454) is a 3-nitrotyrosine (CHEBI:86269)
3-nitro-L-tyrosine (CHEBI:44454) is a L-tyrosine derivative (CHEBI:27177)
3-nitro-L-tyrosine (CHEBI:44454) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
3-nitro-L-tyrosine (CHEBI:44454) is enantiomer of 3-nitro-D-tyrosine (CHEBI:86270)
Incoming 3-nitro-D-tyrosine (CHEBI:86270) is enantiomer of 3-nitro-L-tyrosine (CHEBI:44454)
IUPAC Name
3-nitro-L-tyrosine
Synonyms Sources
(2S)-2-amino-3-(4-hydroxy-3-nitrophenyl)propanoic acid IUPAC
3-nitrotyrosine ChEBI
L-3-nitrotyrosine ChemIDplus
META-NITRO-TYROSINE PDBeChem
Manual Xrefs Databases
DB03867 DrugBank
HMDB0001904 HMDB
NIY PDBeChem
View more database links
Registry Numbers Types Sources
2813157 Beilstein Registry Number Beilstein
2813157 Reaxys Registry Number Reaxys
621-44-3 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10942159 PubMed citation Europe PMC
15585307 PubMed citation Europe PMC
20081197 PubMed citation Europe PMC
29228007 PubMed citation Europe PMC
8960880 PubMed citation Europe PMC
Last Modified
17 January 2018