Biological Magnetic Resonance Data Bank

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


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Molecular Formula: C4H7NO4

Natural Isotopic Abundance Mass: 133.1026800000

Mono-Isotopic Molecular Masses:

  • C12N14: 133.037507718
  • C13N14: 137.05092707
  • C12N15: 134.034542612
  • C13N15: 137.05092707

InChI string: InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1/f/h6,8H

IUPAC: (2S)-2-aminobutanedioic acid

PubChem Compound (CID): 83887
KEGG Compound ID: C00402
ChemIDplus: 001783966
CAS Registry number: 1783-96-6
EINECS: 217-234-6
Beilstein Handbook Reference: 4-04-00-02998

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (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,