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3-iodo-L-tyrosine
SpectraBase Compound ID L72O6FNGp8Y
InChI InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
InChIKey UQTZMGFTRHFAAM-ZETCQYMHSA-N
Mol Weight 307.09 g/mol
Molecular Formula C9H10INO3
Exact Mass 306.970538 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 54d0Gi2kKGG
Name 3-Iodo-L-tyrosine
Acquisition Mode SIMULTANEOUS
CAS Registry Number 70-78-0
ChEBI ID 27847
Comments 100 mM 3-Iodo-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 H10 I N O3
IUPAC Name (2S)-2-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid; (2S)-2-amino-3-(4-hydroxy-3-iodo-phenyl)propionic acid; (2S)-2-amino-3-(4-hydroxy-3-iodo-phenyl)propanoic acid
InChI InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
InChIKey UQTZMGFTRHFAAM-ZETCQYMHSA-N
KEGG Compound ID C02515
KEGG Pathways PATH: ko00350 Tyrosine metabolism
PubChem Compound ID 439744
SMILES C1=CC(=C(C=C1CC(C(=O)O)N)I)O; C1=CC(=C(C=C1C[C@@H](C(=O)O)N)I)O
Source File Reference bmse000337