CHEBI:133954 - carlosic acid methyl ester

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name carlosic acid methyl ester ChEBI ID CHEBI:133954 Definition The methyl ester of carlosic 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 C11H14O6 Net Charge 0 Average Mass 242.226 Monoisotopic Mass 242.07904 InChI InChI=1S/C11H14O6/c1-3-4-6(12)9-10(14)7(17-11(9)15)5-8(13)16-2/h7,14H,3-5H2,1-2H3/t7-/m0/s1 InChIKey MQWPWZMHPWXSGL-ZETCQYMHSA-N SMILES [C@@H]1(C(=C(C(O1)=O)C(CCC)=O)O)CC(OC)=O Metabolite of Species Details Aspergillus niger ATCC 1015 (NCBI:txid380704) See: PubMed ChEBI Ontology Outgoing carlosic acid methyl ester (CHEBI:133954) has functional parent carlosic acid (CHEBI:133953) carlosic acid methyl ester (CHEBI:133954) is a butenolide (CHEBI:50523) carlosic acid methyl ester (CHEBI:133954) is a enol (CHEBI:33823) carlosic acid methyl ester (CHEBI:133954) is a ketone (CHEBI:17087) carlosic acid methyl ester (CHEBI:133954) is a methyl ester (CHEBI:25248) carlosic acid methyl ester (CHEBI:133954) is a tetronic acid derivative (CHEBI:63455) IUPAC Names methyl [(2S)-4-butanoyl-3-hydroxy-5-oxo-2,5-dihydrofuran-2-yl]acetate methyl [(2S)-4-butyryl-3-hydroxy-5-oxo-2,5-dihydrofuran-2-yl]acetate Synonym Source (S)-carlosic acid methyl ester ChEBI Registry Number Type Source 3616485 Reaxys Registry Number Reaxys Citation Type Source 25044953 PubMed citation Europe PMC Last Modified 17 November 2016