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:

3,4,5-trihydroxycyclohexene-1-carboxylic acid image

View large 3D structure

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


PubChem Substance (SID):   n/a
PubChem Compound (CID):   8742
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   SKM
Miscellaneous Databases and IDs:   MMCD cq_00348

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: 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,