CHEBI:190582 - XLR11 N-(2-fluoropentyl) isomer

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name XLR11 N-(2-fluoropentyl) isomer
ChEBI ID CHEBI:190582
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H28FNO
Net Charge 0
Average Mass 329.459
Monoisotopic Mass 329.21549
InChI InChI=1S/C21H28FNO/c1-6-9-14(22)12-23-13-16(15-10-7-8-11-17(15)23)18(24)19-20(2,3)21(19,4)5/h7-8,10-11,13-14,19H,6,9,12H2,1-5H3
InChIKey QWKOFFDPSCMXAL-UHFFFAOYSA-N
SMILES FC(CN1C=C(C(=O)C2C(C2(C)C)(C)C)C=3C1=CC=CC3)CCC
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) Found in liver (BTO:0000759). See: MetaboLights Study
ChEBI Ontology
Outgoing XLR11 N-(2-fluoropentyl) isomer (CHEBI:190582) is a indoles (CHEBI:24828)
IUPAC Name
[1-(2-luoropentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
Manual Xref Database
29341390 ChemSpider
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Registry Number Type Source
1628690-25-4 CAS Registry Number ChemIDplus