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CHEBI:16630 - 3-dehydroshikimate

ChEBI IDCHEBI:16630
ChEBI Name3-dehydroshikimate
Stars
DefinitionA monocarboxylic acid anion that is the conjugate base of 3-dehydroshikimic acid, arising from deprotonation of the carboxy group.
Secondary ChEBI IDsCHEBI:11782, CHEBI:12123, CHEBI:17841, CHEBI:19998, CHEBI:20566
Last Modified21 January 2016
DownloadsMolfile
FormulaC7H7O5
Net Charge-1
Average Mass171.128
Monoisotopic Mass171.02990
SMILESO=C([O-])C1=CC(=O)[C@@H](O)[C@H](O)C1
InChIInChI=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
InChIKeySLWWJZMPHJJOPH-PHDIDXHHSA-M
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Role:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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
UniProt Name  Source
3-dehydroshikimateUniProt
Manual XrefsDatabases
3-DEHYDRO-SHIKIMATEMetaCyc
C02637KEGG COMPOUND
Registry NumbersSources
Beilstein:2938338Beilstein