3,4-dimethyl-5-carboxypropyl-2-furanpentanoic acid (CHEBI:185520)

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CHEBI:185520 - 3,4-dimethyl-5-carboxypropyl-2-furanpentanoic acid

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ChEBI ID	CHEBI:185520
ChEBI Name	3,4-dimethyl-5-carboxypropyl-2-furanpentanoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H22O5
Net Charge	0
Average Mass	282.336
Monoisotopic Mass	282.14672
SMILES	Cc1c(CCCCC(=O)O)oc(CCCC(=O)O)c1C
InChI	InChI=1S/C15H22O5/c1-10-11(2)13(7-5-9-15(18)19)20-12(10)6-3-4-8-14(16)17/h3-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKey	ZQVQWQOKMMAWIW-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-carboxypropyl-2-furanpentanoic acid (CHEBI:185520) is a heterocyclic fatty acid (CHEBI:48847)

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

Manual Xrefs	Databases
LMFA01150063	LIPID MAPS
113368403	ChemSpider