Biological Magnetic Resonance Data Bank

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

Trans-3-hexenedioic Acid

Graphical representations:


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Molecular Formula: C6H8O4

Natural Isotopic Abundance Mass: 144.12532

Mono-Isotopic Molecular Masses:

  • C12N14: 144.0422587452
  • C13N14: 150.062387772
  • C12N15: 144.0422587452
  • C13N15: 150.062387772

InChI string: InChI=1S/C6H8O4/c7-5(8)3-1-2-4-6(9)10/h1-2H,3-4H2,(H,7,8)(H,9,10)/b2-1+

PubChem Compound (CID): 5351896
Sigma-Aldrich: H17856_ALDRICH
ChemSpider: 4508880
NIST Chemistry WebBook: 879893650
MMCD: cq_10587
MDL: MFCD00002785

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,