Biological Magnetic Resonance Data Bank

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

Ethylmalonic Acid

Graphical representations:


View large 3D structure

Molecular Formula: C5H8O4

Natural Isotopic Abundance Mass: 132.11462

Mono-Isotopic Molecular Masses:

  • C12N14: 132.0422587452
  • C13N14: 137.0590329342
  • C12N15: 132.0422587452
  • C13N15: 137.0590329342

InChI string: InChI=1S/C5H8O4/c1-2-3(4(6)7)5(8)9/h3H,2H2,1H3,(H,6,7)(H,8,9)

PubChem Compound (CID): 11756
CAS Registry number: 601-75-2
Sigma-Aldrich: 04270_FLUKA
NMRShiftDB: 19794
ChemDB: 6680012
DTP/NCI: 96615
NIST: 4039612240
MMCD: cq_10718
MDL: MFCD00002668

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,