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 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).