CHEBI:32364 - 3-dehydroquinate

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ChEBI Name 3-dehydroquinate ChEBI ID CHEBI:32364 Definition A hydroxy monocarboxylic acid anion that is obtained by removal of a proton from the carboxylic acid group of 3-dehydroquinic acid. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:11781, CHEBI:12122 Supplier Information No supplier information found for this compound. Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C7H9O6 Net Charge -1 Average Mass 189.14276 Monoisotopic Mass 189.04046 InChI InChI=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 InChIKey WVMWZWGZRAXUBK-SYTVJDICSA-M SMILES O[C@@H]1C[C@@](O)(CC(=O)[C@H]1O)C([O-])=O Metabolite of Species Details Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net See: PubMed Roles Classification Biological Role(s): Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). View more via ChEBI Ontology ChEBI Ontology Outgoing 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 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 Sources 3-dehydroquinate UniProt 3-Dehydroquinate KEGG COMPOUND 5-Dehydroquinate KEGG COMPOUND Manual Xrefs Databases C00944 KEGG COMPOUND DEHYDROQUINATE MetaCyc View more database links Last Modified 21 January 2016

General Comment 2005-03-09 The numbering system used for 3-dehydroquinate is that of the IUPAC/CBN recommendations on cyclitols, sections I-8 and I-9. The use of the term '5-dehydroquinate' for this compound is based on an earlier system of numbering (for example of use, see S. Mitsuhashi and B. D. Davis, Biochim. Biophys. Acta, 1954, 15, 268-280).