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CHEBI:183465 - 5-fluoro AB-PINACA N-(4-hydroxypentyl) metabolite

ChEBI IDCHEBI:183465
ChEBI Name5-fluoro AB-PINACA N-(4-hydroxypentyl) metabolite
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H25FN4O3
Net Charge0
Average Mass364.421
Monoisotopic Mass364.19107
SMILESCC(C)C(NC(=O)c1nn(CCCC(O)CF)c2ccccc12)C(N)=O
InChIInChI=1S/C18H25FN4O3/c1-11(2)15(17(20)25)21-18(26)16-13-7-3-4-8-14(13)23(22-16)9-5-6-12(24)10-19/h3-4,7-8,11-12,15,24H,5-6,9-10H2,1-2H3,(H2,20,25)(H,21,26)
InChIKeyIEYDKWLGOBQFKU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
brain (BTO:0000142) MetaboLights (MTBLS3637)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
hemolymph (BTO:0000572) 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)
5-fluoro AB-PINACA N-(4-hydroxypentyl) metabolite (CHEBI:183465) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(5-luoro-4-hydroxypentyl)indazole-3-carboxamide
Manual XrefsDatabases
29763743ChemSpider