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CHEBI:165178 - 1,2,3,4-Tetrahydro-beta-carboline-1,3-dicarboxylic acid

ChEBI IDCHEBI:165178
ChEBI Name1,2,3,4-Tetrahydro-beta-carboline-1,3-dicarboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H12N2O4
Net Charge0
Average Mass260.249
Monoisotopic Mass260.07971
SMILESO=C(O)C1Cc2c(nc3ccccc23)C(C(=O)O)N1
InChIInChI=1S/C13H12N2O4/c16-12(17)9-5-7-6-3-1-2-4-8(6)14-10(7)11(15-9)13(18)19/h1-4,9,11,14-15H,5H2,(H,16,17)(H,18,19)
InChIKeyZWMZDKZTZLGVRQ-UHFFFAOYSA-N
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)
1,2,3,4-Tetrahydro-beta-carboline-1,3-dicarboxylic acid (CHEBI:165178) is a harmala alkaloid (CHEBI:61379)
IUPAC Name 
2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1,3-dicarboxylic acid
Manual XrefsDatabases
HMDB0032102HMDB
133583ChemSpider
Registry NumbersSources
CAS:59132-30-8ChemIDplus