CHEBI:16630 - 3-dehydroshikimate

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ChEBI Name 3-dehydroshikimate ChEBI ID CHEBI:16630 Definition A monocarboxylic acid anion that is the conjugate base of 3-dehydroshikimic acid, arising from deprotonation of the carboxy group. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:11782, CHEBI:17841, CHEBI:12123, CHEBI:20566, CHEBI:19998 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 C7H7O5 Net Charge -1 Average Mass 171.12748 Monoisotopic Mass 171.02990 InChI InChI=1S/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,5-6,9-10H,2H2,(H,11,12)/p-1/t5-,6-/m1/s1 InChIKey SLWWJZMPHJJOPH-PHDIDXHHSA-M SMILES O[C@@H]1CC(=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-dehydroshikimate (CHEBI:16630) has functional parent shikimate (CHEBI:36208) 3-dehydroshikimate (CHEBI:16630) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) 3-dehydroshikimate (CHEBI:16630) is a monocarboxylic acid anion (CHEBI:35757) 3-dehydroshikimate (CHEBI:16630) is conjugate base of 3-dehydroshikimic acid (CHEBI:30918) Incoming 3-dehydroshikimic acid (CHEBI:30918) is conjugate acid of 3-dehydroshikimate (CHEBI:16630) IUPAC Name (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylate Synonym Source 3-dehydroshikimate UniProt Manual Xrefs Databases 3-DEHYDRO-SHIKIMATE MetaCyc C02637 KEGG COMPOUND View more database links Registry Number Type Source 2938338 Beilstein Registry Number Beilstein Last Modified 21 January 2016

General Comment 2005-03-22 The numbering system used for the 3-dehydroshikimate is that of the IUPAC/CBN recommendations on cyclitols, sections I-8 and I-9. The use of the term '5-dehydroshikimate' for this compound is based on an earlier, now obsolete, system of numbering (for example of use, see S. Mitsuhashi and B. D. Davis, Biochim. Biophys. Acta, 1954, 15, 268-280).