CHEBI:16630 - 3-dehydroshikimate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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
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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).