5-Pentyl-2-furanoctanoic acid (CHEBI:191624)

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CHEBI:191624 - 5-Pentyl-2-furanoctanoic acid

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ChEBI ID	CHEBI:191624
ChEBI Name	5-Pentyl-2-furanoctanoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C17H28O3
Net Charge	0
Average Mass	280.408
Monoisotopic Mass	280.20384
SMILES	CCCCCc1ccc(CCCCCCCC(=O)O)o1
InChI	InChI=1S/C17H28O3/c1-2-3-7-10-15-13-14-16(20-15)11-8-5-4-6-9-12-17(18)19/h13-14H,2-12H2,1H3,(H,18,19)
InChIKey	DMCIYMHYEFBHJQ-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Solanum tuberosum (ncbitaxon:4113)	leaf (BTO:0000713)	MetaboLights (MTBLS4365)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	5-Pentyl-2-furanoctanoic acid (CHEBI:191624) is a heterocyclic fatty acid (CHEBI:48847)

IUPAC Name
8-(5-pentyluran-2-yl)octanoic acid

Manual Xrefs	Databases
HMDB0112098	HMDB
74849753	ChemSpider