Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Anthranilic Acid

Graphical representations:

Anthranilic acid image

View large 3D structure

Molecular Formula: C7 H7 N O2

Natural Isotopic Abundance Mass: 137.1359800000

Mono-Isotopic Molecular Masses:

  • C12N14: 137.047678474
  • C13N14: 144.071162339
  • C12N15: 138.044713367
  • C13N15: 145.0681972319

InChI String: InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)

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

IUPAC: IUPAC traditional: IUPAC cas: IUPAC openeye: IUPAC systematic
2-aminobenzoic acid

PubChem Substance (SID):   85164913   151521   3408
PubChem Compound (CID):   227
KEGG: Compound ID   C00108
CAS Registry IDs:   118-92-3   14342-65-5   2099-63-0   552-37-4   60613-06-1   7058-55-1   7459-95-2   80206-34-4
PDB Chemical Component   6AB   BE2
Miscellaneous Databases and IDs:   CHEBI 30754   CCRIS 49   HSDB 1321   EINECS 204-287-5   NSC 144   Beilstein Handbook Reference 4-27-00-07875

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: 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,