CHEBI:133955 - agglomerin F

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ChEBI Name agglomerin F
ChEBI ID CHEBI:133955
Definition A butenolide that is the methyl ester of 4-(4-hydroxy-5-methylidene-2-oxo-2,5-dihydrofuran-3-yl)-4-oxobutanoic acid
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Julian Brandl
Supplier Information ZINC000085560803
Download Molfile XML SDF
Formula C10H10O6
Net Charge 0
Average Mass 226.183
Monoisotopic Mass 226.04774
InChI InChI=1S/C10H10O6/c1-5-9(13)8(10(14)16-5)6(11)3-4-7(12)15-2/h13H,1,3-4H2,2H3
InChIKey FFBWNTWBOGMXHG-UHFFFAOYSA-N
SMILES O1C(C(=C(C1=O)C(CCC(OC)=O)=O)O)=C
Metabolite of Species Details
Aspergillus niger ATCC 1015 (NCBI:txid380704) See: PubMed
Roles Classification
Biological Role(s): Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
View more via ChEBI Ontology
ChEBI Ontology
Outgoing agglomerin F (CHEBI:133955) has role Aspergillus metabolite (CHEBI:76956)
agglomerin F (CHEBI:133955) is a butenolide (CHEBI:50523)
agglomerin F (CHEBI:133955) is a enol (CHEBI:33823)
agglomerin F (CHEBI:133955) is a enone (CHEBI:51689)
agglomerin F (CHEBI:133955) is a methyl ester (CHEBI:25248)
agglomerin F (CHEBI:133955) is a olefinic compound (CHEBI:78840)
agglomerin F (CHEBI:133955) is a polyketide (CHEBI:26188)
IUPAC Name
methyl 4-(4-hydroxy-5-methylidene-2-oxo-2,5-dihydrofuran-3-yl)-4-oxobutanoate
Registry Number Type Source
27079070 Reaxys Registry Number Reaxys
Citation Type Source
25044953 PubMed citation Europe PMC
Last Modified
20 March 2017