MiMeDB: Showing metabocard for 3,5-Diiodo-L-tyrosine (MMDBc0032011)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-18 01:58:33 UTC

Update Date

2024-10-11 03:02:51 UTC

Metabolite ID

MMDBc0032011

Metabolite Identification

Common Name

3,5-Diiodo-L-tyrosine

Description

NULL

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(2S)-2-Amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid	ChEBI
3,5-Diiodotyrosine	ChEBI
Diiodotyrosine	ChEBI
DiIY	ChEBI
DIT	ChEBI
L-3,5-Diiodotyrosine	ChEBI
L-Diiodotyrosine	ChEBI
(2S)-2-Amino-3-(4-hydroxy-3,5-diiodophenyl)propanoate	Generator
3,5-Diiodotyrocine	HMDB
3,5-Iodo-L-tyrosine	HMDB
3,5-L-Diiodotyrosine	HMDB
4-Hydroxy-3,5-diiodophenylalanine	HMDB
Iodogorgoic acid	HMDB
Acid, iodogorgoic	HMDB

Molecular Formula

C₉H₉I₂NO₃

Average Mass

432.9816

Monoisotopic Mass

432.867179999

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=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

InChI Key

NYPYHUZRZVSYKL-ZETCQYMHSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Tyrosine and derivatives

Alternative Parents

Substituents

Tyrosine or derivatives
Phenylalanine or derivatives
3-phenylpropanoic-acid
Amphetamine or derivatives
Alpha-amino acid
L-alpha-amino acid
2-iodophenol
2-halophenol
Aralkylamine
Halobenzene
Phenol
Iodobenzene
Aryl iodide
Monocyclic benzene moiety
Benzenoid
Aryl halide
Amino acid
Carboxylic acid
Monocarboxylic acid or derivatives
Amine
Primary aliphatic amine
Organonitrogen compound
Organooxygen compound
Primary amine
Organic nitrogen compound
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organoiodide
Organohalogen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

non-proteinogenic L-alpha-amino acid (CHEBI:15768 )
L-tyrosine derivative (CHEBI:15768 )
diiodotyrosine (CHEBI:15768 )
Other amino acids (C01060 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

Spectra

Not Available

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Blood
Feces
Urine

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0191946	Thyroid peroxidase	Unknown	P07202	Homo sapiens
MMDBp0195066	Iodotyrosine dehalogenase 1	Unknown	Q6PHW0	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Data Source	Reference
MMDBr0001496	Iodotyrosine	3,5-Diiodo-L-tyrosine	thyroid peroxidase	VMH	2997169
MMDBr0001497	3,5-Diiodo-L-tyrosine	2-Aminoacrylic acid	thyroid peroxidase	VMH	2997169 3153466 3475693
MMDBr0001498	3,5-Diiodo-L-tyrosine	2-Aminoacrylic acid	thyroid peroxidase	VMH	2997169 3153466 3475693
MMDBr0010420	Iodotyrosine	3,5-Diiodo-L-tyrosine	thyroid peroxidase	VMH; KEGG	30371894

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference
Chronic kidney disease	Slight Increase	Association	Human Urine	HMDB	3098453
Hyperthyroidism		Association	Human Blood	HMDB	11344555

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Proteobacteria	1	Human ; Human feces; Human feces; pleural fluid plaque; bal; Human stool	Unknown

Exposure Sources

Source Type	Activity	Data Source	Reference
Drugs	Antimicrobial	U.S. Environmental Protection Agency	CompTox
Cosmetics	Not Available	U.S. Environmental Protection Agency	CompTox
Domestics	Not Available	U.S. Environmental Protection Agency	CompTox
Domestics	Not Available	U.S. Environmental Protection Agency	CompTox

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified									HMDB
Human Urine	Detected and Quantified	0.00013	0.000098			umol/mmol creatinine	Adult (>18 years old)	Both	Chronic renal disease	HMDB	3098453
Human Blood	Detected and Quantified	0.0036		0.0010	0.0134	uM	Adult (>18 years old)	Both	Hyperthyroidism	HMDB	11344555
Human Urine	Detected and Quantified	0.000049	0.000027			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	3098453
Human Blood	Detected and Quantified	0.0036		0.0014	0.0099	uM	Adult (>18 years old)	Both	Normal	HMDB	11344555

External Links

HMDB ID

HMDB0003474

DrugBank ID

DB03374

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB023181

KNApSAcK ID

Not Available

Chemspider ID

8946

KEGG Compound ID

C01060

BioCyc ID

Not Available

BiGG ID

36719

Wikipedia Link

Not Available

METLIN ID

6940

PubChem Compound

9305

PDB ID

Not Available

ChEBI ID

15768

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Bismuth J, Castay M, Lissitzky S: Binding of 3,5-diiodotyrosine to serum proteins. Clin Chim Acta. 1976 Jun 15;69(3):417-22. doi: 10.1016/0009-8981(76)90113-3. [PubMed:59643 ]
Ismail-Beigi F, Rahimifar M: A variant of iodotyrosine-dehalogenase deficiency. J Clin Endocrinol Metab. 1977 Mar;44(3):499-506. doi: 10.1210/jcem-44-3-499. [PubMed:838849 ]
Tompkins RK, Croke JC: Bile acids inhibit pepsin activity against a refined substrate. Am J Surg. 1980 Feb;139(2):237-9. doi: 10.1016/0002-9610(80)90262-7. [PubMed:6766680 ]

Showing metabocard for 3,5-Diiodo-L-tyrosine (MMDBc0032011)

MOL for #<Metabolite:0x0000556b6af72648>

3D MOL for #<Metabolite:0x0000556b6af72648>

3D SDF for #<Metabolite:0x0000556b6af72648>

3D-SDF for #<Metabolite:0x0000556b6af72648>

PDB for #<Metabolite:0x0000556b6af72648>

3D PDB for #<Metabolite:0x0000556b6af72648>

SMILES for #<Metabolite:0x0000556b6af72648>

INCHI for #<Metabolite:0x0000556b6af72648>

Structure for #<Metabolite:0x0000556b6af72648>

3D Structure for #<Metabolite:0x0000556b6af72648>