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CHEBI:230399 - 11-(5-ethyl-3,4-Dimethylfuran-2-yl)undecanoylcarnitine

ChEBI IDCHEBI:230399
ChEBI Name11-(5-ethyl-3,4-Dimethylfuran-2-yl)undecanoylcarnitine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H45NO5
Net Charge0
Average Mass451.648
Monoisotopic Mass451.32977
SMILESCCc1oc(CCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)c(C)c1C
InChIInChI=1S/C26H45NO5/c1-7-23-20(2)21(3)24(32-23)16-14-12-10-8-9-11-13-15-17-26(30)31-22(18-25(28)29)19-27(4,5)6/h22H,7-19H2,1-6H3
InChIKeyQORRMDDAOQKGFF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
11-(5-ethyl-3,4-Dimethylfuran-2-yl)undecanoylcarnitine (CHEBI:230399) is a O-acylcarnitine (CHEBI:17387)
IUPAC Name 
3-[11-(5-ethyl-3,4-dimethyluran-2-yl)undecanoyloxy]-4-(trimethylazaniumyl)butanoate
Manual XrefsDatabases
128530173ChemSpider
HMDB0241830HMDB