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3,5-diiodo-L-tyrosine
SpectraBase Compound ID 8S3aefhkTTJ
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
InChIKey NYPYHUZRZVSYKL-ZETCQYMHSA-N
Mol Weight 432.98 g/mol
Molecular Formula C9H9I2NO3
Exact Mass 432.867183 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7JTwTKN7Xmc
Name 3,5-Diiodo-L-tyrosine
Acquisition Mode SIMULTANEOUS
CAS Registry Number 66-02-4; 300-39-0
ChEBI ID 15768
Comments Saturated 3,5-Diiodo-L-tyrosine - Sigma-Aldrich Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C9 H9 I2 N O3
IUPAC Name (2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid; (2S)-2-amino-3-(4-hydroxy-3,5-diiodo-phenyl)propionic acid; (2S)-2-amino-3-(4-hydroxy-3,5-diiodo-phenyl)propanoic acid
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
InChIKey NYPYHUZRZVSYKL-ZETCQYMHSA-N
KEGG Compound ID C01060
KEGG Pathways PATH: ko00350 Tyrosine metabolism
PubChem Compound ID 9305
SMILES C1=C(C=C(C(=C1I)O)I)CC(C(=O)O)N; C1=C(C=C(C(=C1I)O)I)C[C@@H](C(=O)O)N
Source File Reference bmse000327