3,4-dimethyl-5-carboxyethyl-2-furanpentanoic acid (CHEBI:168340)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:168340 - 3,4-dimethyl-5-carboxyethyl-2-furanpentanoic acid

Take structure to advanced search

ChEBI ID	CHEBI:168340
ChEBI Name	3,4-dimethyl-5-carboxyethyl-2-furanpentanoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C14H20O5
Net Charge	0
Average Mass	268.309
Monoisotopic Mass	268.13107
SMILES	Cc1c(CCCCC(=O)O)oc(CCC(=O)O)c1C
InChI	InChI=1S/C14H20O5/c1-9-10(2)12(7-8-14(17)18)19-11(9)5-3-4-6-13(15)16/h3-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKey	KLVVTPGUDQKTHU-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Malus domestica (ncbitaxon:3750)	exocarp (BTO:0000733)	MetaboLights (MTBLS2384)	Strain: Malus x domestica Borkh. cv. Ruixue

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	3,4-dimethyl-5-carboxyethyl-2-furanpentanoic acid (CHEBI:168340) is a heterocyclic fatty acid (CHEBI:48847)

IUPAC Name
5-[5-(2-carboxyethyl)-3,4-dimethyluran-2-yl]pentanoic acid

Manual Xrefs	Databases
LMFA01150055	LIPID MAPS