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

3,4,5-trihydroxycyclohexene-1-carboxylic Acid bmse001179 - Data

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

Shikimic acid

Wikipedia:

Graphical representations:

3,4,5-trihydroxycyclohexene-1-carboxylic

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

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, https://www.nature.com/articles/sdata201773)