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CHEBI:190651 - XLR11 N-(4-hydroxypentyl) metabolite

Default Structure
ChEBI IDCHEBI:190651
ChEBI NameXLR11 N-(4-hydroxypentyl) metabolite
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28FNO2
Net Charge0
Average Mass345.458
Monoisotopic Mass345.21041
SMILESCC1(C)C(C(=O)c2cn(CCCC(O)CF)c3ccccc23)C1(C)C
InChIInChI=1S/C21H28FNO2/c1-20(2)19(21(20,3)4)18(25)16-13-23(11-7-8-14(24)12-22)17-10-6-5-9-15(16)17/h5-6,9-10,13-14,19,24H,7-8,11-12H2,1-4H3
InChIKeyMDPXVRYUGDTVIS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) liver (BTO:0000759) MetaboLights (MTBLS4163)
ChEBI Ontology
Outgoing Relation(s)
XLR11 N-(4-hydroxypentyl) metabolite (CHEBI:190651) is a indoles (CHEBI:24828)
IUPAC Name 
[1-(5-luoro-4-hydroxypentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
Manual XrefsDatabases
29341425ChemSpider