Chemical Component Summary

Name1,3,4-TRIHYDROXY-5-OXO-CYCLOHEXANECARBOXYLIC ACID
Synonyms3-DEHYDROQUINIC ACID
Identifiers(1R,3R,4S)-1,3,4-trihydroxy-5-oxo-cyclohexane-1-carboxylic acid
FormulaC7 H10 O6
Molecular Weight190.151
TypeNON-POLYMER
Isomeric SMILESC1[C@H]([C@@H](C(=O)C[C@]1(C(=O)O)O)O)O
InChIInChI=1S/C7H10O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3,5,8,10,13H,1-2H2,(H,11,12)/t3-,5+,7-/m1/s1
InChIKeyWVMWZWGZRAXUBK-SYTVJDICSA-N

Chemical Details

Formal Charge0
Atom Count23
Chiral Atom Count3
Bond Count23
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB03868 
Name3-Dehydroquinic Acid
Groups experimental
Synonyms3-Dehydroquinic Acid
Categories
  • Acids, Carbocyclic
  • Cyclohexanecarboxylic Acids
  • Hydroxy Acids

Drug Targets

NameTarget SequencePharmacological ActionActions
3-dehydroquinate dehydrataseMKILVIQGPNLNMLGHRDPRLYGMVTLDQIHEIMQTFVKQGNLDVELEFF...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 439351
ChEBI CHEBI:17947