CHEBI:82986 - 3-carboxy-4-methyl-5-propyl-2-furanpropanoate

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ChEBI Name 3-carboxy-4-methyl-5-propyl-2-furanpropanoate ChEBI ID CHEBI:82986 Definition A dicarboxylic acid monoanion that is the conjugate base of 2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid. Stars This entity has been manually annotated by the ChEBI Team. 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 C12H15O5 Net Charge -1 Average Mass 239.24500 Monoisotopic Mass 239.09250 InChI InChI=1S/C12H16O5/c1-3-4-8-7(2)11(12(15)16)9(17-8)5-6-10(13)14/h3-6H2,1-2H3,(H,13,14)(H,15,16)/p-1 InChIKey WMCQWXZMVIETAO-UHFFFAOYSA-M SMILES CCCc1oc(CCC([O-])=O)c(C(O)=O)c1C Metabolite of Species Details Homo sapiens (NCBI:txid9606) See: PubMed Roles Classification Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing 3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CHEBI:82986) has role human metabolite (CHEBI:77746) 3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CHEBI:82986) is a dicarboxylic acid monoanion (CHEBI:35695) 3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CHEBI:82986) is conjugate base of 2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid (CHEBI:41254) Incoming 2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid (CHEBI:41254) is conjugate acid of 3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CHEBI:82986) IUPAC Name 3-(3-carboxy-4-methyl-5-propylfuran-2-yl)propanoate Last Modified 18 September 2014