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

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:44454 - 3-nitro-L-tyrosine

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:44454
ChEBI Name	3-nitro-L-tyrosine
Stars
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.
Secondary ChEBI IDs	CHEBI:35130, CHEBI:44450
Last Modified	22 June 2020
Submitter	Kirill Degtyarenko
Downloads	Molfile

Formula	C9H10N2O5
Net Charge	0
Average Mass	226.188
Monoisotopic Mass	226.05897
SMILES	N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O
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

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-nitro-L-tyrosine (CHEBI:44454) is a L-tyrosine derivative (CHEBI:27177)
	3-nitro-L-tyrosine (CHEBI:44454) is a 3-nitrotyrosine (CHEBI:86269)
	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)
	3-nitro-L-tyrosine (CHEBI:44454) is tautomer of 3-nitro-L-tyrosine zwitterion (CHEBI:232064)
Incoming Relation(s)
	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)
	3-nitro-L-tyrosine zwitterion (CHEBI:232064) is tautomer of 3-nitro-L-tyrosine (CHEBI:44454)

IUPAC Name
3-nitro-L-tyrosine

Synonyms	Source
(2S)-2-amino-3-(4-hydroxy-3-nitrophenyl)propanoic acid	IUPAC
3-nitrotyrosine	ChEBI
META-NITRO-TYROSINE	PDBeChem
L-3-nitrotyrosine	ChemIDplus

Manual Xrefs	Databases
DB03867	DrugBank
HMDB0001904	HMDB
NIY	PDBeChem

Registry Numbers	Sources
Beilstein:2813157	Beilstein
Reaxys:2813157	Reaxys
CAS:621-44-3	ChemIDplus

Citations