CHEBI:64497 - cspyrone B1

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ChEBI Name cspyrone B1
ChEBI ID CHEBI:64497
Definition An oxo monocarboxylic acid that is propionic acid carrying a 3-acetyl-4-hydroxy-2-oxo-2H-pyran-6-yl group at position 3; it is produced by the fungus Aspergillus oryzae
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C10H10O6
Net Charge 0
Average Mass 226.183
Monoisotopic Mass 226.04774
InChI InChI=1S/C10H10O6/c1-5(11)9-7(12)4-6(16-10(9)15)2-3-8(13)14/h4,12H,2-3H2,1H3,(H,13,14)
InChIKey AHSXBCFJMIOPSN-UHFFFAOYSA-N
SMILES C(=O)(O)CCC=1OC(C(=C(C1)O)C(=O)C)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
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ChEBI Ontology
Outgoing cspyrone B1 (CHEBI:64497) has role fungal metabolite (CHEBI:76946)
cspyrone B1 (CHEBI:64497) is a 2-pyranones (CHEBI:75885)
cspyrone B1 (CHEBI:64497) is a aromatic ketone (CHEBI:76224)
cspyrone B1 (CHEBI:64497) is a methyl ketone (CHEBI:51867)
cspyrone B1 (CHEBI:64497) is a oxo monocarboxylic acid (CHEBI:35871)
IUPAC Name
3-(3-acetyl-4-hydroxy-2-oxo-2H-pyran-6-yl)propanoic acid
Registry Number Type Source
20529735 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
20471846 PubMed citation Europe PMC
Last Modified
11 May 2016