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

ChEBI IDCHEBI:28335
ChEBI Name3,5-dibromo-L-tyrosine
Stars
ASCII Name3,5-dibromo-L-tyrosine
DefinitionA bromoamino acid that is L-tyrosine carrying bromo- substituents at positions C-3 and C-5 of the benzyl group.
Secondary ChEBI IDsCHEBI:1398, CHEBI:19900, CHEBI:49561
Last Modified22 February 2017
DownloadsMolfile
FormulaC9H9Br2NO3
Net Charge0
Average Mass338.983
Monoisotopic Mass336.89492
SMILESN[C@@H](Cc1cc(Br)c(O)c(Br)c1)C(=O)O
InChIInChI=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
InChIKeyCOESHZUDRKCEPA-ZETCQYMHSA-N
Wikipedia
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 Roles:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
antithyroid drug  A drug used to treat hyperthyroidism by reducing the excessive production of thyroid hormones.
Application:
antithyroid drug  A drug used to treat hyperthyroidism by reducing the excessive production of thyroid hormones.
ChEBI Ontology
Outgoing Relation(s)
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  Source
3,5-Dibromo-L-tyrosineKEGG COMPOUND
3,5 DIBROMOTYROSINEPDBeChem
(2S)-2-amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acidIUPAC
3,5-dibromotyrosineChEBI
DiBrYChEBI
Manual XrefsDatabases
C03224KEGG COMPOUND
C03224KEGG COMPOUND
DBYPDBeChem
DB07637DrugBank
DibromotyrosineWikipedia
D08659KEGG DRUG
4413DrugCentral
Registry NumbersSources
Gmelin:1128683Gmelin
Reaxys:2944471Reaxys
CAS:300-38-9KEGG COMPOUND
CAS:300-38-9ChemIDplus
Citations