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CHEBI:172378 - 1-Phenyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid

ChEBI IDCHEBI:172378
ChEBI Name1-Phenyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
Stars
Last Modified31 October 2024
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H16N2O2
Net Charge0
Average Mass292.338
Monoisotopic Mass292.12118
SMILESO=C(O)C1Cc2c(nc3ccccc23)C(c2ccccc2)N1
InChIInChI=1S/C18H16N2O2/c21-18(22)15-10-13-12-8-4-5-9-14(12)19-17(13)16(20-15)11-6-2-1-3-7-11/h1-9,15-16,19-20H,10H2,(H,21,22)
InChIKeyZJSUEWDIHUPPRO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
unidentified (ncbitaxon:32644) Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Staphylococcus aureus (ncbitaxon:1280)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105) Strain: Staphylococcus aureus subsp. aureus USA300 [NCBI:txid367830]
Pseudomonas aeruginosa (ncbitaxon:287)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105) Strain: Pseudomonas aeruginosa UCBPP-PA14 [NCBI:txid208963]
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Pseudomonas aeruginosa;Staphylococcus aureus (ncbitaxon:1280) Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
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)
1-Phenyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid (CHEBI:172378) is a harmala alkaloid (CHEBI:61379)
IUPAC Name 
1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Manual XrefsDatabases
132838ChemSpider
Registry NumbersSources
CAS:82789-18-2ChemIDplus