3,5-Diiodo-L-tyrosine

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Systematic / IUPAC Name: 3,5-Diiodotyrosine

ID: Reference847

Other Names: (S)-2-Amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid;
3,5-Diiodo-4-hydroxy-β-phenylalanine;
3,5-L-Diiodotyrosine

Formula: C9H9I2NO3

Class: Endogenous Metabolites

Spectral Data

3,5-Diiodo-L-tyrosine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 2
No. of Spectra 623
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 3/17/2015 9:49:52 AM
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Identificators

InChI 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
Canonical SMILES C1=C(C=C(C(=C1I)O)I)CC(C(=O)O)N
CAS 300390
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Other Names (S)-2-Amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid;
3,5-Diiodo-4-hydroxy-β-phenylalanine;
3,5-L-Diiodotyrosine

In Other Databases

KEGG C01060
Wikipedia Diiodotyrosine
HMDb HMDB03474
PubChem 9305; 7058163
ChemIDPlus 000300390
ChemSpider 8946
ChEMBL CHEMBL1236469
ChEBI CHEBI:15768