BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

3-Iodo_L-tyrosine

3-Iodo_L-tyrosine bmse000337 - Data

3-Iodo_L-tyrosine synonyms

3-IODO-TYROSINE; (2S)-2-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid; 3-Monoiodo-L-tyrosine; 3-Iodo-L-tyrosine

Wikipedia:

Graphical representations:

3-Iodo_L-tyrosine

View large 3D structure

Molecular Formula: C9H10NO3I

Natural Isotopic Abundance Mass: 307.08507

Mono-Isotopic Molecular Masses:

  • C12N14: 306.9705361925
  • C13N14: 316.0007297327
  • C12N15: 307.9675710857
  • C13N15: 316.9977646259

InChI string: 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

PubChem Compound (CID): 439744
CAS Registry number: 70-78-0
Thomson Pharma: 01449417
ChEBI: CHEBI:27847
KEGG Compound ID: C02515
Sigma-Aldrich: I8250_SIGMA
PDB Compound ID: IYR

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)