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CHEBI:186700 - 3,4-dimethyl-5-carboxymethyl-2-furanpropanoic acid

ChEBI IDCHEBI:186700
ChEBI Name3,4-dimethyl-5-carboxymethyl-2-furanpropanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H14O5
Net Charge0
Average Mass226.228
Monoisotopic Mass226.08412
SMILESCc1c(CCC(=O)O)oc(CC(=O)O)c1C
InChIInChI=1S/C11H14O5/c1-6-7(2)9(5-11(14)15)16-8(6)3-4-10(12)13/h3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyQFWCXMQJOBYESS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3,4-dimethyl-5-carboxymethyl-2-furanpropanoic acid (CHEBI:186700) is a heterocyclic fatty acid (CHEBI:48847)
IUPAC Name 
3-[5-(carboxymethyl)-3,4-dimethyluran-2-yl]propanoic acid
Manual XrefsDatabases
LMFA01150048LIPID MAPS
113368390ChemSpider