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CHEBI:165398 - 3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acid

ChEBI IDCHEBI:165398
ChEBI Name3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O5
Net Charge0
Average Mass268.309
Monoisotopic Mass268.13107
SMILESCCCCCc1oc(CCC(=O)O)c(C(=O)O)c1C
InChIInChI=1S/C14H20O5/c1-3-4-5-6-10-9(2)13(14(17)18)11(19-10)7-8-12(15)16/h3-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyRIJDKRLRDVBUHJ-UHFFFAOYSA-N
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-pentyl-2-furanpropanoic acid (CHEBI:165398) is a heterocyclic fatty acid (CHEBI:48847)
IUPAC Name 
2-(2-carboxyethyl)-4-methyl-5-pentyluran-3-carboxylic acid
Manual XrefsDatabases
HMDB0061643HMDB
LMFA01150047LIPID MAPS
168762ChemSpider
Registry NumbersSources
CAS:73248-95-0ChemIDplus