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CHEBI:193547 - (1R*,3R*,3'S*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid

ChEBI IDCHEBI:193547
ChEBI Name(1R*,3R*,3'S*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H17N3O2S
Net Charge0
Average Mass315.398
Monoisotopic Mass315.10415
SMILESO=C(O)C1Cc2c(nc3ccccc23)C(C2CCNC2=S)N1
InChIInChI=1S/C16H17N3O2S/c20-16(21)12-7-10-8-3-1-2-4-11(8)18-14(10)13(19-12)9-5-6-17-15(9)22/h1-4,9,12-13,18-19H,5-7H2,(H,17,22)(H,20,21)
InChIKeyYHAYSIGUKKXZJH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
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)
(1R*,3R*,3'S*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid (CHEBI:193547) is a harmala alkaloid (CHEBI:61379)
IUPAC Name 
1-(2-sulanylidenepyrrolidin-3-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Manual XrefsDatabases
2274658ChemSpider
HMDB0034767HMDB