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CHEBI:36124 - (+)-quinic acid

ChEBI IDCHEBI:36124
ChEBI Name(+)-quinic acid
Stars
DefinitionThe (+)-enantiomer of quinic acid.
Last Modified8 July 2014
DownloadsMolfile
FormulaC7H12O6
Net Charge0
Average Mass192.167
Monoisotopic Mass192.06339
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)/t3-,4-,5-,7+/m0/s1
InChIKeyAAWZDTNXLSGCEK-DRMQKGJZSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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)
(+)-quinic acid (CHEBI:36124) is a quinic acid (CHEBI:26493)
(+)-quinic acid (CHEBI:36124) is enantiomer of (−)-quinic acid (CHEBI:17521)
Incoming Relation(s)
4-O-trans-caffeoylquinic acid (CHEBI:75491) has functional parent (+)-quinic acid (CHEBI:36124)
5-O-cis-caffeoylquinic acid (CHEBI:75489) has functional parent (+)-quinic acid (CHEBI:36124)
(−)-quinic acid (CHEBI:17521) is enantiomer of (+)-quinic acid (CHEBI:36124)
IUPAC Names 
(1R,3S,4R,5S)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid
1D-1(OH),3,4/5-tetrahydroxycyclohexanecarboxylic acid
Registry NumbersSources
Reaxys:2212410Reaxys