9-(3,4-dimethyl-5-butylfuran-2-yl)-nonanoic acid (CHEBI:187691)

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CHEBI:187691 - 9-(3,4-dimethyl-5-butylfuran-2-yl)-nonanoic acid

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ChEBI ID	CHEBI:187691
ChEBI Name	9-(3,4-dimethyl-5-butylfuran-2-yl)-nonanoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C19H32O3
Net Charge	0
Average Mass	308.462
Monoisotopic Mass	308.23514
SMILES	CCCCc1oc(CCCCCCCCC(=O)O)c(C)c1C
InChI	InChI=1S/C19H32O3/c1-4-5-12-17-15(2)16(3)18(22-17)13-10-8-6-7-9-11-14-19(20)21/h4-14H2,1-3H3,(H,20,21)
InChIKey	IZEBSZFMLJHHME-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)
	9-(3,4-dimethyl-5-butylfuran-2-yl)-nonanoic acid (CHEBI:187691) is a heterocyclic fatty acid (CHEBI:48847)

IUPAC Name
9-(5-butyl-3,4-dimethyluran-2-yl)nonanoic acid

Manual Xrefs	Databases
HMDB0112100	HMDB
LMFA01150022	LIPID MAPS
74849754	ChemSpider