BMRB

Biological Magnetic Resonance Data Bank


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

DL-3-aminoisobutyric Acid

Graphical representations:

DL-3-aminoisobutyric acid image

Molecular Formula: C4 H9 N O2

Natural Isotopic Abundance Mass: 103.11976

Mono-Isotopic Molecular Masses:

  • C12N14: 89.0602545331
  • C13N14: 93.0736738843
  • C12N15: 104.0603634315
  • C13N15: 108.0737827827

InCHi String:

Canonical and Isomeric SMILES: CC(CN)C(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
DL-3-aminoisobutyric acid

PubChem Substance (SID):   43121811   841372   7413401
PubChem Compound (CID):   64956
KEGG: Compound ID   C05145
CAS Registry IDs:   144-90-1   10569-72-9
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 217794_ALDRICH   ChemIDplus 010569729   ChemSpider 58481   BIND 563   EINECS 234-154-7   ChemDB 6680117   NIST Chemistry WebBook 2880842530

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.