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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-2
H
-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.
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Molfile
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 (Br
o
nsted 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.
View more via ChEBI Ontology
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-2
H
-pyran-6-yl)propanoic acid
Registry Number
Type
Source
20529735
Reaxys Registry Number
Reaxys
Citation
Type
Source
20471846
PubMed citation
Europe PMC
Last Modified
11 May 2016