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-Hydroxyanthranilic Acid

Graphical representations:

3-Hydroxyanthranilic acid image

Molecular Formula: C7 H7 N O3

Natural Isotopic Abundance Mass: 153.13538

Mono-Isotopic Molecular Masses:

  • C12N14: 153.0425930962
  • C13N14: 160.0660769608
  • C12N15: 154.0396279894
  • C13N15: 161.063111854

InCHi String: InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)

canonical and isomeric SMILES: C1=CC(=C(C(=C1)O)N)C(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac CAS NAME
2-amino-3-hydroxybenzoic acid

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
2-amino-3-hydroxy-benzoic acid

PubChem Substance (SID):   85165121   7595176   3905
PubChem Compound (CID):   86
KEGG: Compound ID   C00632
CAS Registry IDs:   548-93-6
PDB Chemical Component   3HA
Miscellaneous Databases and IDs:   Thomson Pharma 00068118   CCRIS 4427   ChemIDplus 000548936   ChEBI CHEBI:15793   Shanghai Institute of Organic Chemistry 1u1w   ChemSpider 13858172   NIST 4052159813   EINECS 208-962-5   DTP/NCI 522891   HSDB 4040   NMRShiftDB 20037773   Sigma-Aldrich H9391_SIGMA   Beilstein Handbook Reference 4-14-00-02071   ChemDB 6680986

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.