3,4-dimethyl-5-carboxyethyl-2-furanhexanoic acid (CHEBI:186708)

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CHEBI:186708 - 3,4-dimethyl-5-carboxyethyl-2-furanhexanoic acid

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ChEBI ID	CHEBI:186708
ChEBI Name	3,4-dimethyl-5-carboxyethyl-2-furanhexanoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H22O5
Net Charge	0
Average Mass	282.336
Monoisotopic Mass	282.14672
SMILES	Cc1c(CCCCCC(=O)O)oc(CCC(=O)O)c1C
InChI	InChI=1S/C15H22O5/c1-10-11(2)13(8-9-15(18)19)20-12(10)6-4-3-5-7-14(16)17/h3-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKey	ISVSHKJFDAGMDH-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	feces (BTO:0000440)	MetaboLights (MTBLS3750)	Strain: C57BL/6 Mouse [NCIT:C14424]

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-furanhexanoic acid (CHEBI:186708) is a heterocyclic fatty acid (CHEBI:48847)

IUPAC Name
6-[5-(2-carboxyethyl)-3,4-dimethyluran-2-yl]hexanoic acid

Manual Xrefs	Databases
LMFA01150061	LIPID MAPS
113368401	ChemSpider