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CHEBI:173959 - (1xi,3S)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-1,3-dicarboxylic acid

ChEBI IDCHEBI:173959
ChEBI Name(1xi,3S)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-1,3-dicarboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H14N2O4
Net Charge0
Average Mass274.276
Monoisotopic Mass274.09536
SMILESCC1(C(=O)O)NC(C(=O)O)Cc2c1nc1ccccc21
InChIInChI=1S/C14H14N2O4/c1-14(13(19)20)11-8(6-10(16-14)12(17)18)7-4-2-3-5-9(7)15-11/h2-5,10,15-16H,6H2,1H3,(H,17,18)(H,19,20)
InChIKeyZKGAKYZRRFOFGK-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)
(1xi,3S)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-1,3-dicarboxylic acid (CHEBI:173959) is a harmala alkaloid (CHEBI:61379)
IUPAC Name 
1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3-dicarboxylic acid
Manual XrefsDatabases
231414ChemSpider
HMDB0035115HMDB