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CHEBI:183674 - CUMYL-PICA N-pentanoic acid metabolite

ChEBI IDCHEBI:183674
ChEBI NameCUMYL-PICA N-pentanoic acid metabolite
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H26N2O3
Net Charge0
Average Mass378.472
Monoisotopic Mass378.19434
SMILESCC(C)(NC(=O)c1cn(CCCCC(=O)O)c2ccccc12)c1ccccc1
InChIInChI=1S/C23H26N2O3/c1-23(2,17-10-4-3-5-11-17)24-22(28)19-16-25(15-9-8-14-21(26)27)20-13-7-6-12-18(19)20/h3-7,10-13,16H,8-9,14-15H2,1-2H3,(H,24,28)(H,26,27)
InChIKeyPAIZLLVUTPSHRQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
brain (BTO:0000142) 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)
CUMYL-PICA N-pentanoic acid metabolite (CHEBI:183674) is a indolyl carboxylic acid (CHEBI:46867)
IUPAC Name 
5-[3-(2-phenylpropan-2-ylcarbamoyl)indol-1-yl]pentanoic acid
Manual XrefsDatabases
68004098ChemSpider