BMRB

Biological Magnetic Resonance Data Bank


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

L-4-hydroxyphenylglycine

Graphical representations:

L-4-hydroxyphenylglycine image

Molecular Formula: C8 H9 N O3

Natural Isotopic Abundance Mass: 167.16196

Mono-Isotopic Molecular Masses:

  • C12N14: 167.0582431604
  • C13N14: 175.0850818628
  • C12N15: 168.0552780536
  • C13N15: 176.082116756

InCHi String: InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1

canonical SMILES: C1=CC(=CC=C1C(C(=O)O)N)O

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

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME
(2S)-2-amino-2-(4-hydroxyphenyl)acetic acid

PUBCHEM iupac SYSTEMATIC NAME
(2S)-2-azanyl-2-(4-hydroxyphenyl)ethanoic acid

PubChem Substance (SID):   111677771   24879955   47206995
PubChem Compound (CID):   36143
KEGG: Compound ID   D05292
CAS Registry IDs:   32462-30-9
PDB Chemical Component   D4P
Miscellaneous Databases and IDs:   Sigma-Aldrich 56160_FLUKA   ChEBI CHEBI:31755   MMCD cq_08863   MDL MFCD00065932

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.