EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:176707 - 11-(3-Methyl-5-pentyl-2-furyl)undecanoic acid

ChEBI IDCHEBI:176707
ChEBI Name11-(3-Methyl-5-pentyl-2-furyl)undecanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H36O3
Net Charge0
Average Mass336.516
Monoisotopic Mass336.26645
SMILESCCCCCc1cc(C)c(CCCCCCCCCCC(=O)O)o1
InChIInChI=1S/C21H36O3/c1-3-4-11-14-19-17-18(2)20(24-19)15-12-9-7-5-6-8-10-13-16-21(22)23/h17H,3-16H2,1-2H3,(H,22,23)
InChIKeyQDTBMEGPXZUECM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000118) MetaboLights (MTBLS2262)
blood plasma (BTO:0000118) MetaboLights (MTBLS2262)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
11-(3-Methyl-5-pentyl-2-furyl)undecanoic acid (CHEBI:176707) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
11-(3-methyl-5-pentyluran-2-yl)undecanoic acid
Manual XrefsDatabases
9231983ChemSpider
HMDB0031005HMDB
LMFA01150013LIPID MAPS