TYI
3,5-DIIODOTYROSINE
| Created: | 1999-07-08 |
| Last modified: | 2024-09-27 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 24 |
| Chiral Atom Count | 1 |
| Bond Count | 24 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | 3,5-DIIODOTYROSINE |
| Systematic Name (OpenEye OEToolkits) | (2S)-2-amino-3-(4-hydroxy-3,5-diiodo-phenyl)propanoic acid |
| Formula | C9 H9 I2 N O3 |
| Molecular Weight | 432.982 |
| Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
|---|---|---|---|
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Ic1cc(cc(I)c1O)CC(C(=O)O)N |
| SMILES | CACTVS | 3.341 | N[CH](Cc1cc(I)c(O)c(I)c1)C(O)=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c(cc(c(c1I)O)I)CC(C(=O)O)N |
| Canonical SMILES | CACTVS | 3.341 | N[C@@H](Cc1cc(I)c(O)c(I)c1)C(O)=O |
| Canonical SMILES | OpenEye OEToolkits | 1.5.0 | c1c(cc(c(c1I)O)I)C[C@@H](C(=O)O)N |
| InChI | InChI | 1.03 | 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 |
| InChIKey | InChI | 1.03 | NYPYHUZRZVSYKL-ZETCQYMHSA-N |
Drug Info: DrugBank
| DrugBank ID | DB03374 |
|---|---|
| Name | 3,5-Diiodotyrosine |
| Groups | experimental |
| Description | A product from the iodination of MONOIODOTYROSINE. In the biosynthesis of thyroid hormones, diiodotyrosine residues are coupled with other monoiodotyrosine or diiodotyrosine residues to form T4 or T3 thyroid hormones (THYROXINE and TRIIODOTHYRONINE). [PubChem] |
| Synonyms | 3,5-Diiodotyrosine |
| Categories |
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| CAS number | 300-39-0 |
Drug Targets
| Name | Target Sequence | Pharmacological Action | Actions |
|---|---|---|---|
| cAMP-dependent protein kinase inhibitor alpha | MTDVETTYADFIASGRTGRRNAIHDILVSSASGNSNELALKLAGLDINKT... | unknown | |
| cAMP-dependent protein kinase catalytic subunit alpha | MGNAAAAKKGSEQESVKEFLAKAKEDFLKKWESPAQNTAHLDQFERIKTL... | unknown | |
| Alpha-amylase G-6 | MNASYVKKVSLYLLLSFVITLPLFSPTFSINSVDASQGGEQQSFSWDNAT... | unknown | |
| Trypsin-1 | MNPLLILTFVAAALAAPFDDDDKIVGGYNCEENSVPYQVSLNSGYHFCGG... | unknown | |
| Nickel-binding periplasmic protein | MLSTLRRTLFALLACASFIVHAAAPDEITTAWPVNVGPLNPHLYTPNQMF... | unknown | |
| View More | |||
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 7058163, 9305 |
| ChEMBL | CHEMBL1236469 |
| ChEBI | CHEBI:15768 |
| CCDC/CSD | FESTUV |
