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-2-Aminobutyric acid

Graphical representations:

DL-2-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/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)

canonical and isomeric SMILES: CCC(C(=O)O)N

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

PUBCHEM iupac TRADITIONAL NAME
2-aminobutyric acid

PubChem Substance (SID):   85165183   6346475   24846029
PubChem Compound (CID):   6657
KEGG: Compound ID   n/a
CAS Registry IDs:   2623-91-8   2835-81-6
PDB Chemical Component   AA3   AB7   ABA   DBB   UNK
Miscellaneous Databases and IDs:   Sigma-Aldrich 07220_FLUKA   CambridgeSoft Corporation 430   ChEBI CHEBI:35621   ChemIDplus 002623918   DrugBank DB04454   ChemSpider 16278653   EINECS 220-084-4   ChemDB 4734889   DTP/NCI 3251   NIST Chemistry WebBook 4292225647

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.