BMRB

Biological Magnetic Resonance Data Bank


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

3,4-Dihydroxy-L-phenylalanine

Graphical representations:

3,4-Dihydroxy-L-phenylalanine image

Molecular Formula: C9 H11 N O4

Natural Isotopic Abundance Mass: 197.18794

Mono-Isotopic Molecular Masses:

  • C12N14: 197.0688078467
  • C13N14: 206.0990013869
  • C12N15: 198.0658427399
  • C13N15: 207.0960362801

InCHi String:

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

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

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid

PUBCHEM iupac TRADITIONAL NAME
(2S)-2-amino-3-(3,4-dihydroxyphenyl)propionic acid

PubChem Substance (SID):   85165122   11112155   26746620
PubChem Compound (CID):   6047
KEGG: Compound ID   D00059
CAS Registry IDs:   59-92-7
PDB Chemical Component   DAH   TY3
Miscellaneous Databases and IDs:   Thomson Pharma 00036711   ChEBI CHEBI:15765   ChemSpider 5824   NCGC NCGC00016270-01   Sigma-Aldrich D9628_SIGMA

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.