BMRB

Biological Magnetic Resonance Data Bank


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

gamma-Aminobutyric acid

Graphical representations:

gamma-Aminobutyric acid image

Molecular Formula: C4 H9 N O2

Natural Isotopic Abundance Mass: 103.11976

Mono-Isotopic Molecular Masses:

  • C12N14: 103.0633285383
  • C13N14: 107.0767478895
  • C12N15: 104.0603634315
  • C13N15: 108.0737827827

InCHi String: InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)

canonical and isomeric SMILES: C(CC(=O)O)CN

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
4-aminobutanoic acid

PUBCHEM iupac TRADITIONAL NAME
4-aminobutyric acid

PubChem Substance (SID):   85165140   10527343   8145275
PubChem Compound (CID):   119
KEGG: Compound ID   D00058
CAS Registry IDs:   28805-76-7   56-12-2
PDB Chemical Component   ABU
Miscellaneous Databases and IDs:   Sigma-Aldrich A5835_SIGMA   ChEBI CHEBI:16865   ChemIDplus 028805767   ChemSpider 16205468   BIND 1855   CCRIS 3721   NMRShiftDB 10008874   EPA Pesticide Chemical Code 030802   CambridgeSoft Corporation 432   LipidMAPS LMFA01100039   DrugBank EXPT00402   NCGC NCGC00024546-01   ChemDB 3966749   NIST Chemistry WebBook 624163905

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.