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CHEBI:84357 - 3-[(1R,2S,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyruvate

ChEBI IDCHEBI:84357
ChEBI Name3-[(1R,2S,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyruvate
Stars
ASCII Name3-[(1R,2S,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyruvate
DefinitionA 2-oxo monocarboxylic acid anion that is the conjugate base of 3-[(1R,2S,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyruvic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified31 March 2015
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC9H11O5
Net Charge-1
Average Mass199.182
Monoisotopic Mass199.06120
SMILESO=C([O-])C(=O)C[C@@H]1CC[C@@H](O)[C@@H]2O[C@H]12
InChIInChI=1S/C9H12O5/c10-5-2-1-4(7-8(5)14-7)3-6(11)9(12)13/h4-5,7-8,10H,1-3H2,(H,12,13)/p-1/t4-,5+,7+,8-/m0/s1
InChIKeyGDGJNVNXUIMBFT-LAHCRNKXSA-M
Species of MetaboliteComponentSourceComments
Bacillus subtilis (ncbitaxon:1423) - PubMed (23317005)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
3-[(1R,2S,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyruvate (CHEBI:84357) has role bacterial metabolite (CHEBI:76969)
3-[(1R,2S,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyruvate (CHEBI:84357) is a 2-oxo monocarboxylic acid anion (CHEBI:35179)
3-[(1R,2S,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyruvate (CHEBI:84357) is conjugate base of 3-[(1R,2S,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyruvic acid (CHEBI:85359)
Incoming Relation(s)
3-[(1R,2S,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyruvic acid (CHEBI:85359) is conjugate acid of 3-[(1R,2S,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyruvate (CHEBI:84357)
IUPAC Name 
3-[(1R,2S,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]-2-oxopropanoate
Synonym  Source
epoxy-4S-H4HPPChEBI
Manual XrefsDatabases
CPD-17536MetaCyc
Citations