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CHEBI:187579 - 11(E)-(3,4-dimethyl-5-(pent-1-en-1-yl)furan-2-yl)-undecanoic acid

ChEBI IDCHEBI:187579
ChEBI Name11(E)-(3,4-dimethyl-5-(pent-1-en-1-yl)furan-2-yl)-undecanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H36O3
Net Charge0
Average Mass348.527
Monoisotopic Mass348.26645
SMILESCCC/C=C/c1oc(CCCCCCCCCCC(=O)O)c(C)c1C
InChIInChI=1S/C22H36O3/c1-4-5-12-15-20-18(2)19(3)21(25-20)16-13-10-8-6-7-9-11-14-17-22(23)24/h12,15H,4-11,13-14,16-17H2,1-3H3,(H,23,24)/b15-12+
InChIKeyJDPJNLGDCVKZFL-NTCAYCPXSA-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)
11(E)-(3,4-dimethyl-5-(pent-1-en-1-yl)furan-2-yl)-undecanoic acid (CHEBI:187579) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
11-[3,4-dimethyl-5-[(E)-pent-1-enyl]uran-2-yl]undecanoic acid
Manual XrefsDatabases
74849731ChemSpider
HMDB0112073HMDB
LMFA01150071LIPID MAPS