3,4-dimethyl-5-carboxybutyl-2-furanpentanoic acid (CHEBI:187482)

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CHEBI:187482 - 3,4-dimethyl-5-carboxybutyl-2-furanpentanoic acid

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ChEBI ID	CHEBI:187482
ChEBI Name	3,4-dimethyl-5-carboxybutyl-2-furanpentanoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C16H24O5
Net Charge	0
Average Mass	296.363
Monoisotopic Mass	296.16237
SMILES	Cc1c(CCCCC(=O)O)oc(CCCCC(=O)O)c1C
InChI	InChI=1S/C16H24O5/c1-11-12(2)14(8-4-6-10-16(19)20)21-13(11)7-3-5-9-15(17)18/h3-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKey	VYGIMSNQGYUTNQ-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-carboxybutyl-2-furanpentanoic acid (CHEBI:187482) is a heterocyclic fatty acid (CHEBI:48847)

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

Manual Xrefs	Databases
113368402	ChemSpider
LMFA01150062	LIPID MAPS