Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
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
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
Formula
C9H10N2O5
Net Charge
0
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 (Br
o
nsted acid).
(via
organic amino compound
)
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted 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-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
(2
S
)-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
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
22 June 2020