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

Graphical representations:

3-Iodo_L-tyrosine image

Molecular Formula: C9 H10 N O3 I

Natural Isotopic Abundance Mass: 307.08507

Mono-Isotopic Molecular Masses:

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

InCHi String:

canonical SMILES: C1=CC(=C(C=C1CC(C(=O)O)N)I)O

isomeric SMILES: C1=CC(=C(C=C1C[C@@H](C(=O)O)N)I)O

PUBCHEM iupac NAME: PUBCHEM iupac CAS NAME
(2S)-2-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid

PUBCHEM iupac TRADITIONAL NAME
(2S)-2-amino-3-(4-hydroxy-3-iodo-phenyl)propionic acid

PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
(2S)-2-amino-3-(4-hydroxy-3-iodo-phenyl)propanoic acid

PubChem Substance (SID):   85165137   5525   8144448
PubChem Compound (CID):   439744
KEGG: Compound ID   C02515
CAS Registry IDs:   70-78-0
PDB Chemical Component   IYR
Miscellaneous Databases and IDs:   Thomson Pharma 01449417   ChEBI CHEBI:27847   Sigma-Aldrich I8250_SIGMA

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.