DEHYDROQUINATE

Metabolite DEHYDROQUINATE

• smiles:
  • C1(C(O)C(O)C(=O)CC(O)(C([O-])=O)1)
• molecular weight:
  • 189.144
• inchi key:
  • InChIKey=WVMWZWGZRAXUBK-SYTVJDICSA-M
• common name:
  • 3-dehydroquinate
• Synonym(s):
  • 3-dehydroquinic acid
  • 5-dehydroquinic acid
  • 5-dehydroquinate
  • 5-de-H-quinate
  • rel-(1R,3R,4S)-1,3,4-trihydroxy-5-oxocyclohexanecarboxylate

Reaction(s) known to produce the compound

• RXN-7967
• 3-DEHYDROQUINATE-SYNTHASE-RXN

Reaction(s) of unknown directionality

• 3-DEHYDROQUINATE-DEHYDRATASE-RXN

External links

• BIGG : 3dhq
• CAS : 10534-44-8
• HMDB : HMDB12710
• CHEMSPIDER:
  • 4573866
• CHEBI:
  • 32364
• LIGAND-CPD:
  • C00944
• PUBCHEM:
  • 5460271

Property "Smiles" (as page type) with input value "C1(C(O)C(O)C(=O)CC(O)(C([O-])=O)1)" contains invalid characters or is incomplete and therefore can cause unexpected results during a query or annotation process.