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CHEBI:183367 - PB-22 N-pentanoic acid-3-carboxyindole metabolite

ChEBI IDCHEBI:183367
ChEBI NamePB-22 N-pentanoic acid-3-carboxyindole metabolite
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H15NO4
Net Charge0
Average Mass261.277
Monoisotopic Mass261.10011
SMILESO=C(O)CCCCn1cc(C(=O)O)c2ccccc21
InChIInChI=1S/C14H15NO4/c16-13(17)7-3-4-8-15-9-11(14(18)19)10-5-1-2-6-12(10)15/h1-2,5-6,9H,3-4,7-8H2,(H,16,17)(H,18,19)
InChIKeyVCBRLAVKGLDFSD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
hindgut (BTO:0000510) 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)
PB-22 N-pentanoic acid-3-carboxyindole metabolite (CHEBI:183367) is a indolyl carboxylic acid (CHEBI:46867)
IUPAC Name 
1-(4-carboxybutyl)indole-3-carboxylic acid
Manual XrefsDatabases
29341624ChemSpider