Back to Compounds

3,5-Diiodothyronine (PC000279)

Record Information
Version1.0
Creation date2015-10-09 22:29:37 UTC
Update date2017-01-19 02:36:19 UTC
FoodComEx IDPC000279
FoodDB RecordFDB022128
Chemical Information
Name3,5-Diiodothyronine
Description3,5-Diiodothyronine is a metabolite of thyroid hormones (thyroxine and triiodo-L-thyronine). It has specific actions and those actions do not involve thyroid hormone receptors. (PMID 15807655) [HMDB]
CAS Number534-51-0
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
(3,5-diiodo-4-(-p-hydroxyphenoxy)phenyl)-Alaninehmdb
3,5-Diiodo-D-thyroninehmdb
3,5-Diiodo-dl-thryroninehmdb
3,5-Diiodo-DL-thyroninehmdb
3,5-Diiodo-L-thyroninehmdb
3,5-Diiodothyroninehmdb
3,5-T2hmdb
3',5'-diiodothyroninehmdb
4-(4-Hydroxyphenoxy)-3,5-diiodophenylalaninehmdb
D-O-(4-hydroxyphenyl)-3,5-diiodo-Tyrosinehmdb
Diiodo-L-thyroninehmdb
Diiodothyroninehmdb
DL-3,5-Diiodothyroninehmdb
DL-Diiodothyroninehmdb
L-3,5-Diiodothyroninehmdb
L-O-(4-hydroxyphenyl)-3,5-diiodo-Tyrosinehmdb
O-(4-hydroxyphenyl)-3,5-diiodo-Tyrosinehmdb
Chemical FormulaC15H13I2NO4
IUPAC name2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid
InChI IdentifierInChI=1S/C15H13I2NO4/c16-11-5-8(7-13(18)15(20)21)6-12(17)14(11)22-10-3-1-9(19)2-4-10/h1-6,13,19H,7,18H2,(H,20,21)
InChI KeyZHSOTLOTTDYIIK-UHFFFAOYSA-N
Isomeric SMILESNC(CC1=CC(I)=C(OC2=CC=C(O)C=C2)C(I)=C1)C(O)=O
Average Molecular Weight525.077
Monoisotopic Molecular Weight524.893394749
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phenylalanine and derivatives. Phenylalanine and derivatives are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentPhenylalanine and derivatives
Alternative Parents
Substituents
  • Phenylalanine or derivatives
  • Diphenylether
  • Diaryl ether
  • 3-phenylpropanoic-acid
  • Alpha-amino acid
  • Amphetamine or derivatives
  • Phenoxy compound
  • Phenol ether
  • Iodobenzene
  • Halobenzene
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Aralkylamine
  • Aryl iodide
  • Aryl halide
  • Benzenoid
  • Monocyclic benzene moiety
  • Amino acid
  • Ether
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organic nitrogen compound
  • Primary aliphatic amine
  • Organohalogen compound
  • Organoiodide
  • Organonitrogen compound
  • Organooxygen compound
  • Primary amine
  • Carbonyl group
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Amine
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 50 mg
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
Not Available