Biological Magnetic Resonance Data Bank

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

3,4,5-trihydroxycyclohexene-1-carboxylic Acid

3,4,5-trihydroxycyclohexene-1-carboxylic Acid synonyms

Shikimic acid


Graphical representations:


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Molecular Formula: C7H10O5

Natural Isotopic Abundance Mass: 174.1513

Mono-Isotopic Molecular Masses:

  • C12N14: 174.05282342
  • C13N14: 181.076307286
  • C12N15: 174.05282342
  • C13N15: 181.076307286

InChI string: InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1

MMCD: cq_00348
PDB Compound ID: SKM
PubChem Compound (CID): 8742

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,