CHEBI:28335 - 3,5-dibromo-L-tyrosine

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ChEBI Name 3,5-dibromo-L-tyrosine
ChEBI ID CHEBI:28335
ChEBI ASCII Name 3,5-dibromo-L-tyrosine
Definition A bromoamino acid that is L-tyrosine carrying bromo- substituents at positions C-3 and C-5 of the benzyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1398, CHEBI:49561, CHEBI:19900
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Formula C9H9Br2NO3
Net Charge 0
Average Mass 338.98100
Monoisotopic Mass 336.89492
InChI InChI=1S/C9H9Br2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1
InChIKey COESHZUDRKCEPA-ZETCQYMHSA-N
SMILES N[C@@H](Cc1cc(Br)c(O)c(Br)c1)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): antithyroid drug
A drug used to treat hyperthyroidism by reducing the excessive production of thyroid hormones.
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
Application(s): antithyroid drug
A drug used to treat hyperthyroidism by reducing the excessive production of thyroid hormones.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3,5-dibromo-L-tyrosine (CHEBI:28335) has role antithyroid drug (CHEBI:50671)
3,5-dibromo-L-tyrosine (CHEBI:28335) has role human xenobiotic metabolite (CHEBI:76967)
3,5-dibromo-L-tyrosine (CHEBI:28335) is a bromoamino acid (CHEBI:22930)
3,5-dibromo-L-tyrosine (CHEBI:28335) is a dihalogenated L-tyrosine (CHEBI:53680)
3,5-dibromo-L-tyrosine (CHEBI:28335) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
IUPAC Name
3,5-dibromo-L-tyrosine
Synonyms Sources
(2S)-2-amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid IUPAC
3,5 DIBROMOTYROSINE PDBeChem
3,5-Dibromo-L-tyrosine KEGG COMPOUND
3,5-dibromotyrosine ChEBI
DiBrY ChEBI
Manual Xrefs Databases
4413 DrugCentral
C03224 KEGG COMPOUND
D08659 KEGG DRUG
DB07637 DrugBank
DBY PDBeChem
Dibromotyrosine Wikipedia
View more database links
Registry Numbers Types Sources
1128683 Gmelin Registry Number Gmelin
2944471 Beilstein Registry Number Beilstein
2944471 Reaxys Registry Number Reaxys
300-38-9 CAS Registry Number KEGG COMPOUND
300-38-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
15589368 PubMed citation Europe PMC
19177191 PubMed citation Europe PMC
Last Modified
22 February 2017