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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acid
ChEBI ID CHEBI:165398
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H20O5
Net Charge 0
Average Mass 268.309
Monoisotopic Mass 268.13107
InChI InChI=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)
InChIKey RIJDKRLRDVBUHJ-UHFFFAOYSA-N
SMILES O1C(CCCCC)=C(C(=C1CCC(O)=O)C(O)=O)C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xrefs Databases
168762 ChemSpider
HMDB0061643 HMDB
LMFA01150047 LIPID MAPS
View more database links
Registry Number Type Source
73248-95-0 CAS Registry Number ChemIDplus