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CHEBI:172470 - (1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid

ChEBI IDCHEBI:172470
ChEBI Name(1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14N2O2
Net Charge0
Average Mass230.267
Monoisotopic Mass230.10553
SMILESCC1NC(C(=O)O)Cc2c1nc1ccccc21
InChIInChI=1S/C13H14N2O2/c1-7-12-9(6-11(14-7)13(16)17)8-4-2-3-5-10(8)15-12/h2-5,7,11,14-15H,6H2,1H3,(H,16,17)
InChIKeyZUPHXNBLQCSEIA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
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,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid (CHEBI:172470) is a harmala alkaloid (CHEBI:61379)
IUPAC Name 
1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Manual XrefsDatabases
HMDB0037942HMDB
66213ChemSpider
Registry NumbersSources
CAS:5470-37-1ChemIDplus