BMRB

Biological Magnetic Resonance Data Bank


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

Beta-Alanine

Graphical representations:

beta-Alanine image

Molecular Formula: C3 H7 N O2

Natural Isotopic Abundance Mass: 89.0931800000

Mono-Isotopic Molecular Masses:

  • C12N14: 89.0476784741
  • C13N14: 92.0577429875
  • C12N15: 90.0447133673
  • C13N15: 93.0547778807

InCHi String:

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

IUPAC: IUPAC traditional: IUPAC cas: IUPAC openeye: IUPAC systematic
3-aminopropanoic acid

PubChem Substance (SID):   85164985   151007   3399
PubChem Compound (CID):   239
KEGG: Compound ID   C00099
CAS Registry IDs:   107-95-9   16690-93-0   36321-40-1   39748-53-3   87867-95-6
PDB Chemical Component   BAL
Miscellaneous Databases and IDs:   CHEBI 16958   NSC 7603   FEMA No. 3252   EINECS 203-536-5

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.