CHEBI:29751 - (−)-quinate

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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
Download Molfile XML SDF
Formula C7H11O6
Net Charge -1
Average Mass 191.15864
Monoisotopic Mass 191.056
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.
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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
Synonyms Sources
(−)-quinate IUBMB
L-quinate UniProt
Quinate KEGG COMPOUND
Manual Xref Database
C00296 KEGG COMPOUND
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Registry Number Type Source
5029142 Reaxys Registry Number Reaxys
Last Modified
09 September 2014