3-nitro-L-tyrosine (CHEBI:44454)

ChEBI > Main

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

Average Mass

226.18618

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)/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 )

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) 3-nitro-L-tyrosine residue (CHEBI:155899) is substituent group from 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

Last Modified

22 June 2020