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CHEBI:193398 - MAM2201 N-(4-hydroxypentyl) metabolite

ChEBI IDCHEBI:193398
ChEBI NameMAM2201 N-(4-hydroxypentyl) metabolite
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H24FNO2
Net Charge0
Average Mass389.470
Monoisotopic Mass389.17911
SMILESCc1ccc(C(=O)c2cn(CCCC(O)CF)c3ccccc23)c2ccccc12
InChIInChI=1S/C25H24FNO2/c1-17-12-13-22(20-9-3-2-8-19(17)20)25(29)23-16-27(14-6-7-18(28)15-26)24-11-5-4-10-21(23)24/h2-5,8-13,16,18,28H,6-7,14-15H2,1H3
InChIKeyKKTSWDJPCZIFLG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
MAM2201 N-(4-hydroxypentyl) metabolite (CHEBI:193398) is a indolecarboxamide (CHEBI:46921)
IUPAC Name 
[1-(5-luoro-4-hydroxypentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone
Manual XrefsDatabases
29341427ChemSpider
Registry NumbersSources
CAS:1537889-05-6ChemIDplus