(-)-quinate (CHEBI:29751)

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ChEBI Name	(−)-quinate

ChEBI ID	CHEBI:29751

ChEBI ASCII Name	(-)-quinate

Definition	A quinate that is the conjugate base of (−)-quinic acid.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:15000, CHEBI:26489

Supplier Information	ChemicalBook:CB0456205, eMolecules:29542138, ZINC000003869280

Download	Molfile XML SDF

Formula

C7H11O6

Net Charge

-1

Average Mass

191.15864

Monoisotopic Mass

191.05611

InChI

InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/p-1/t3-,4-,5-,7+/m1/s1

InChIKey

AAWZDTNXLSGCEK-WYWMIBKRSA-M

SMILES

O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C([O-])=O

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology
Outgoing	(−)-quinate (CHEBI:29751) has role plant metabolite (CHEBI:76924) (−)-quinate (CHEBI:29751) is a quinate (CHEBI:26490) (−)-quinate (CHEBI:29751) is conjugate base of (−)-quinic acid (CHEBI:17521)

Incoming	3-dehydroquinate (CHEBI:32364) has functional parent (−)-quinate (CHEBI:29751) 4-O-feruloyl-D-quinate (CHEBI:60078) has functional parent (−)-quinate (CHEBI:29751) chlorogenate (CHEBI:57644) has functional parent (−)-quinate (CHEBI:29751) (−)-quinic acid (CHEBI:17521) is conjugate acid of (−)-quinate (CHEBI:29751)

IUPAC Names

(1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylate

Note: (2005-03-30) IUBMB Enzyme Nomenclature Glossary assigns the stereochemistry of the free acid as (1R,3R,4R,5R).

1L-1(OH),3,4/5-Tetrahydroxycyclohexanecarboxylate

Registry Number	Type	Source
5029142	Reaxys Registry Number	Reaxys

Last Modified

09 September 2014