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CHEBI:32364 - 3-dehydroquinate

ChEBI IDCHEBI:32364
ChEBI Name3-dehydroquinate
Stars
DefinitionA hydroxy monocarboxylic acid anion that is obtained by removal of a proton from the carboxylic acid group of 3-dehydroquinic acid.
Secondary ChEBI IDsCHEBI:11781, CHEBI:12122
Last Modified21 January 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC7H9O6
Net Charge-1
Average Mass189.143
Monoisotopic Mass189.04046
SMILESO=C1C[C@@](O)(C(=O)[O-])C[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H10O6/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-,5+,7-/m1/s1
InChIKeyWVMWZWGZRAXUBK-SYTVJDICSA-M
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Role:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
3-dehydroquinate (CHEBI:32364) has functional parent (−)-quinate (CHEBI:29751)
3-dehydroquinate (CHEBI:32364) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
3-dehydroquinate (CHEBI:32364) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
3-dehydroquinate (CHEBI:32364) is conjugate base of 3-dehydroquinic acid (CHEBI:17947)
Incoming Relation(s)
3-dehydroquinic acid (CHEBI:17947) is conjugate acid of 3-dehydroquinate (CHEBI:32364)
IUPAC Name 
rel-(1R,3R,4S)-1,3,4-trihydroxy-5-oxocyclohexanecarboxylate
Synonyms  Source
3-DehydroquinateKEGG COMPOUND
5-DehydroquinateKEGG COMPOUND
UniProt Name  Source
3-dehydroquinateUniProt
Manual XrefsDatabases
C00944KEGG COMPOUND
DEHYDROQUINATEMetaCyc