EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:57506 - 3,5-diiodo-L-tyrosinate(1−)

ChEBI IDCHEBI:57506
ChEBI Name3,5-diiodo-L-tyrosinate(1−)
Stars
ASCII Name3,5-diiodo-L-tyrosinate(1-)
DefinitionAn α-amino-acid anion that is the conjugate base of 3,5-diiodo-L-tyrosine.
Last Modified7 August 2015
DownloadsMolfile
FormulaC9H8I2NO3
Net Charge-1
Average Mass431.975
Monoisotopic Mass431.85991
SMILES[NH3+][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)/p-1/t7-/m0/s1
InChIKeyNYPYHUZRZVSYKL-ZETCQYMHSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (11344555)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
3,5-diiodo-L-tyrosinate(1−) (CHEBI:57506) has role human metabolite (CHEBI:77746)
3,5-diiodo-L-tyrosinate(1−) (CHEBI:57506) is a α-amino-acid anion (CHEBI:33558)
3,5-diiodo-L-tyrosinate(1−) (CHEBI:57506) is conjugate base of 3,5-diiodo-L-tyrosine (CHEBI:15768)
Incoming Relation(s)
3,5-diiodo-L-tyrosine (CHEBI:15768) is conjugate acid of 3,5-diiodo-L-tyrosinate(1−) (CHEBI:57506)
IUPAC Name 
(2S)-2-azaniumyl-3-(3,5-diiodo-4-oxidophenyl)propanoate
Synonym  Source
(2S)-2-ammonio-3-(3,5-diiodo-4-oxidophenyl)propanoateChEBI
UniProt Name  Source
3,5-diiodo-L-tyrosineUniProt