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CHEBI:190929 - beta-carboline-1-propionic acid

ChEBI IDCHEBI:190929
ChEBI Namebeta-carboline-1-propionic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H12N2O2
Net Charge0
Average Mass240.262
Monoisotopic Mass240.08988
SMILESO=C(O)CCc1nccc2c1nc1ccccc12
InChIInChI=1S/C14H12N2O2/c17-13(18)6-5-12-14-10(7-8-15-12)9-3-1-2-4-11(9)16-14/h1-4,7-8,16H,5-6H2,(H,17,18)
InChIKeyCNUHEVWYPKFJHH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
beta-carboline-1-propionic acid (CHEBI:190929) is a harmala alkaloid (CHEBI:61379)
IUPAC Name 
3-(9H-pyrido[3,4-b]indol-1-yl)propanoic acid
Manual XrefsDatabases
4524921ChemSpider
Registry NumbersSources
CAS:89915-39-9ChemIDplus