Biological Magnetic Resonance Data Bank

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

R-(-)-Citramalic Acid

Graphical representations:


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Molecular Formula: C5H8O5

Natural Isotopic Abundance Mass: 148.11402

Mono-Isotopic Molecular Masses:

  • C12N14: 148.0371733673
  • C13N14: 153.0539475563
  • C12N15: 148.0371733673
  • C13N15: 153.0539475563

InChI string: InChI=1S/C5H8O5/c1-5(10,4(8)9)2-3(6)7/h10H,2H2,1H3,(H,6,7)(H,8,9)/t5-/m1/s1

PubChem Compound (CID): 439766
Sigma-Aldrich: 329142_ALDRICH
ChEBI: CHEBI:15586
ChemSpider: 388822
KEGG Compound ID: C02612

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,