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 ChemicalBook:CB2499424, ChemicalBook:CB3109508, ChemicalBook:CB9767902, ChemicalBook:CB9374483, ChemicalBook:CB02709596, eMolecules:6200341, eMolecules:475069 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).