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CHEBI:187029 - 9-(3,4-dimethyl-5-pentylfuran-2-yl)-nonanoic acid

ChEBI IDCHEBI:187029
ChEBI Name9-(3,4-dimethyl-5-pentylfuran-2-yl)-nonanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H34O3
Net Charge0
Average Mass322.489
Monoisotopic Mass322.25079
SMILESCCCCCc1oc(CCCCCCCCC(=O)O)c(C)c1C
InChIInChI=1S/C20H34O3/c1-4-5-10-13-18-16(2)17(3)19(23-18)14-11-8-6-7-9-12-15-20(21)22/h4-15H2,1-3H3,(H,21,22)
InChIKeyGGNZKBPHAMNUOU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Role:
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-pentylfuran-2-yl)-nonanoic acid (CHEBI:187029) is a heterocyclic fatty acid (CHEBI:48847)
IUPAC Name 
9-(3,4-dimethyl-5-pentyluran-2-yl)nonanoic acid
Manual XrefsDatabases
LMFA01150011LIPID MAPS
23255371ChemSpider
HMDB0061645HMDB