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

Default Structure
ChEBI IDCHEBI:82986
ChEBI Name3-carboxy-4-methyl-5-propyl-2-furanpropanoate
Stars
DefinitionA dicarboxylic acid monoanion that is the conjugate base of 2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid.
Last Modified18 September 2014
Submitternamrata
DownloadsMolfile
FormulaC12H15O5
Net Charge-1
Average Mass239.247
Monoisotopic Mass239.09250
SMILESCCCc1oc(CCC(=O)[O-])c(C(=O)O)c1C
InChIInChI=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
InChIKeyWMCQWXZMVIETAO-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (21886157)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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