CHEBI:15768 - 3,5-diiodo-L-tyrosine

ChEBI IDCHEBI:15768
ChEBI Name3,5-diiodo-L-tyrosine
Stars
ASCII Name3,5-diiodo-L-tyrosine
DefinitionA diiodotyrosine that is L-tyrosine carrying iodo-substituents at positions C-3 and C-5 of the benzyl group. It is an intermediate in the thyroid hormone synthesis.
Secondary ChEBI IDsCHEBI:1405, CHEBI:11710, CHEBI:19909, CHEBI:46196
Last Modified30 January 2023
DownloadsMolfile
FormulaC9H9I2NO3
Net Charge0
Average Mass432.983
Monoisotopic Mass432.86719
SMILESN[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O
InChIInChI=1S/C9H9I2NO3/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
InChIKeyNYPYHUZRZVSYKL-ZETCQYMHSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
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 metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
3,5-diiodo-L-tyrosine (CHEBI:15768) has role human metabolite (CHEBI:77746)
3,5-diiodo-L-tyrosine (CHEBI:15768) has role mouse metabolite (CHEBI:75771)
3,5-diiodo-L-tyrosine (CHEBI:15768) is a L-tyrosine derivative (CHEBI:27177)
3,5-diiodo-L-tyrosine (CHEBI:15768) is a diiodotyrosine (CHEBI:23796)
3,5-diiodo-L-tyrosine (CHEBI:15768) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
3,5-diiodo-L-tyrosine (CHEBI:15768) is conjugate acid of 3,5-diiodo-L-tyrosinate(1−) (CHEBI:57506)
Incoming Relation(s)
N-acetyl-L-phenylalanyl-L-diiodotyrosine (CHEBI:28253) has functional parent 3,5-diiodo-L-tyrosine (CHEBI:15768)
3,5-diiodo-L-tyrosinate(1−) (CHEBI:57506) is conjugate base of 3,5-diiodo-L-tyrosine (CHEBI:15768)
3,5-diiodo-L-tyrosine residue (CHEBI:90871) is substituent group from 3,5-diiodo-L-tyrosine (CHEBI:15768)
IUPAC Name 
3,5-diiodo-L-tyrosine
Synonyms  Source
3,5-Diiodo-L-tyrosineKEGG COMPOUND
3,5-DiiodotyrosineKEGG COMPOUND
L-DiiodotyrosineKEGG COMPOUND
3,5-DIIODOTYROSINEPDBeChem
(2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acidIUPAC
DITChemIDplus
Manual XrefsDatabases
C01060KEGG COMPOUND
TYIPDBeChem
DB03374DrugBank
HMDB0003474HMDB
LSM-5697LINCS
3146DrugCentral
Registry NumbersSources
Gmelin:1128682Gmelin
Reaxys:2218691Reaxys
CAS:300-39-0KEGG COMPOUND
CAS:300-39-0ChemIDplus
Citations