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CHEBI:29751 - (−)-quinate

ChEBI IDCHEBI:29751
ChEBI Name(−)-quinate
Stars
ASCII Name(-)-quinate
DefinitionA quinate that is the conjugate base of (−)-quinic acid.
Secondary ChEBI IDsCHEBI:15000, CHEBI:26489
Last Modified9 September 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC7H11O6
Net Charge-1
Average Mass191.159
Monoisotopic Mass191.05611
SMILESO=C([O-])[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](O)C1
InChIInChI=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
InChIKeyAAWZDTNXLSGCEK-WYWMIBKRSA-M
Roles Classification
Biological Role:
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 Relation(s)
(−)-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 Relation(s)
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
1L-1(OH),3,4/5-Tetrahydroxycyclohexanecarboxylate
Synonyms  Source
(−)-quinateIUBMB
QuinateKEGG COMPOUND
UniProt Name  Source
L-quinateUniProt
Manual XrefsDatabases
C00296KEGG COMPOUND
Registry NumbersSources
Reaxys:5029142Reaxys