CHEBI:133955 - agglomerin F

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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