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CHEBI:53678 - 3-chloro-L-tyrosine

ChEBI IDCHEBI:53678
ChEBI Name3-chloro-L-tyrosine
Stars
ASCII Name3-chloro-L-tyrosine
DefinitionA chloroamino acid comprising a tyrosine core with a chloro- substituent ortho to the phenolic hydroxy group.
Last Modified23 October 2015
Submitterzjosephs
DownloadsMolfile
FormulaC9H10ClNO3
Net Charge0
Average Mass215.636
Monoisotopic Mass215.03492
SMILESN[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)O
InChIInChI=1S/C9H10ClNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
InChIKeyACWBBAGYTKWBCD-ZETCQYMHSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (9151778)
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).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Application:
biomarker  A substance used as an indicator of a biological state.
ChEBI Ontology
Outgoing Relation(s)
3-chloro-L-tyrosine (CHEBI:53678) has role biomarker (CHEBI:59163)
3-chloro-L-tyrosine (CHEBI:53678) has role human metabolite (CHEBI:77746)
3-chloro-L-tyrosine (CHEBI:53678) is a L-tyrosine derivative (CHEBI:27177)
3-chloro-L-tyrosine (CHEBI:53678) is a chloroamino acid (CHEBI:23129)
3-chloro-L-tyrosine (CHEBI:53678) is a monochlorobenzenes (CHEBI:83403)
3-chloro-L-tyrosine (CHEBI:53678) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
3-chloro-L-tyrosine (CHEBI:53678) is tautomer of 3-chloro-L-tyrosine zwitterion (CHEBI:189422)
Incoming Relation(s)
3-chloro-L-tyrosine zwitterion (CHEBI:189422) is tautomer of 3-chloro-L-tyrosine (CHEBI:53678)
IUPAC Name 
3-chloro-L-tyrosine
Synonyms  Source
3-chlorotyrosineChEBI
ClYChEBI
Manual XrefsDatabases
HMDB0001885HMDB
Registry NumbersSources
Reaxys:2941263Reaxys
CAS:7423-93-0ChemIDplus
Citations