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CHEBI:165397 - 3,4-Dimethyl-5-pentyl-2-furanheptanoic acid

ChEBI IDCHEBI:165397
ChEBI Name3,4-Dimethyl-5-pentyl-2-furanheptanoic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30O3
Net Charge0
Average Mass294.435
Monoisotopic Mass294.21949
SMILESCCCCCc1oc(CCCCCCC(=O)O)c(C)c1C
InChIInChI=1S/C18H30O3/c1-4-5-8-11-16-14(2)15(3)17(21-16)12-9-6-7-10-13-18(19)20/h4-13H2,1-3H3,(H,19,20)
InChIKeyRFNALLFQILGKLF-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3,4-Dimethyl-5-pentyl-2-furanheptanoic acid (CHEBI:165397) is a heterocyclic fatty acid (CHEBI:48847)
IUPAC Name 
7-(3,4-dimethyl-5-pentyluran-2-yl)heptanoic acid
Manual XrefsDatabases
HMDB0039603HMDB
23255369ChemSpider
LMFA01150027LIPID MAPS