BMRB

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

Wikipedia:

Graphical representations:

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

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

SMILES:

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.