CHEBI:200244 - Csypyrone B3

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Csypyrone B3
ChEBI ID CHEBI:200244
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H14O6
Net Charge 0
Average Mass 254.238
Monoisotopic Mass 254.07904
InChI InChI=1S/C12H14O6/c1-7(13)11-9(14)6-8(18-12(11)17)4-2-3-5-10(15)16/h6,14H,2-5H2,1H3,(H,15,16)
InChIKey ALPIZIJBAXVJRC-UHFFFAOYSA-N
SMILES O=C1OC(=CC(=C1C(=O)C)O)CCCCC(=O)O
Metabolite of Species Details
Aspergillus oryzae (NCBI:txid5062) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Csypyrone B3 (CHEBI:200244) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name
5-(5-acetyl-4-hydroxy-6-oxopyran-2-yl)pentanoic acid
Manual Xref Database
78434654 ChemSpider
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