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CHEBI:229997 - 3,???4-???Dimethyl-???5-???propyl-2-???furanundecanoic acid

ChEBI IDCHEBI:229997
ChEBI Name3,???4-???Dimethyl-???5-???propyl-2-???furanundecanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H34O3
Net Charge0
Average Mass322.489
Monoisotopic Mass322.25079
SMILESCCCc1oc(CCCCCCCCCCC(=O)O)c(C)c1C
InChIInChI=1S/C20H34O3/c1-4-13-18-16(2)17(3)19(23-18)14-11-9-7-5-6-8-10-12-15-20(21)22/h4-15H2,1-3H3,(H,21,22)
InChIKeyHDHYFCAMRUJRJJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
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-???propyl-2-???furanundecanoic acid (CHEBI:229997) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
11-(3,4-dimethyl-5-propyluran-2-yl)undecanoic acid
Manual XrefsDatabases
48060914ChemSpider
HMDB0061647HMDB
LMFA01150012LIPID MAPS