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

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 3-[(1R,2S,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyruvate ChEBI ID CHEBI:84357 ChEBI ASCII Name 3-[(1R,2S,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyruvate Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C9H11O5 Net Charge -1 Average Mass 199.18120 Monoisotopic Mass 199.06120 InChI InChI=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 InChIKey GDGJNVNXUIMBFT-LAHCRNKXSA-M SMILES O[C@@H]1CC[C@@H](CC(=O)C([O-])=O)[C@H]2O[C@@H]12 Metabolite of Species Details Bacillus subtilis (NCBI:txid1423) See: PubMed Roles Classification Biological Role(s): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 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-H4HPP ChEBI Manual Xref Database CPD-17536 MetaCyc View more database links Citation Type Source 23317005 PubMed citation SUBMITTER Last Modified 31 March 2015