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CHEBI:185438 - 3-carboxy-4-methyl-5-(4-oxopentyl)-2-furanpropanoic acid

ChEBI IDCHEBI:185438
ChEBI Name3-carboxy-4-methyl-5-(4-oxopentyl)-2-furanpropanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O6
Net Charge0
Average Mass282.292
Monoisotopic Mass282.11034
SMILESCC(=O)CCCc1oc(CCC(=O)O)c(C(=O)O)c1C
InChIInChI=1S/C14H18O6/c1-8(15)4-3-5-10-9(2)13(14(18)19)11(20-10)6-7-12(16)17/h3-7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyOWPHNZJOHJVXST-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-carboxy-4-methyl-5-(4-oxopentyl)-2-furanpropanoic acid (CHEBI:185438) is a heterocyclic fatty acid (CHEBI:48847)
IUPAC Name 
2-(2-carboxyethyl)-4-methyl-5-(4-oxopentyl)uran-3-carboxylic acid
Manual XrefsDatabases
113368406ChemSpider
LMFA01150067LIPID MAPS