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CHEBI:183745 - AB-PINACA N-(2-fluoropentyl) isomer

ChEBI IDCHEBI:183745
ChEBI NameAB-PINACA N-(2-fluoropentyl) isomer
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H25FN4O2
Net Charge0
Average Mass348.422
Monoisotopic Mass348.19615
SMILESCCCC(F)Cn1nc(C(=O)NC(C(N)=O)C(C)C)c2ccccc21
InChIInChI=1S/C18H25FN4O2/c1-4-7-12(19)10-23-14-9-6-5-8-13(14)16(22-23)18(25)21-15(11(2)3)17(20)24/h5-6,8-9,11-12,15H,4,7,10H2,1-3H3,(H2,20,24)(H,21,25)
InChIKeyVKIBZLGSWZHFJD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
brain (BTO:0000142) MetaboLights (MTBLS3637)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
AB-PINACA N-(2-fluoropentyl) isomer (CHEBI:183745) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(2-luoropentyl)indazole-3-carboxamide
Manual XrefsDatabases
30922482ChemSpider