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CHEBI:216802 - Metatacarboline E

ChEBI IDCHEBI:216802
ChEBI NameMetatacarboline E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H24N4O6
Net Charge0
Average Mass452.467
Monoisotopic Mass452.16958
SMILESC[C@H](NC(=O)c1cc2c(nc3ccccc32)c(CCC(=O)N2CCC[C@H]2C(=O)O)n1)C(=O)O
InChIInChI=1S/C23H24N4O6/c1-12(22(30)31)24-21(29)17-11-14-13-5-2-3-6-15(13)26-20(14)16(25-17)8-9-19(28)27-10-4-7-18(27)23(32)33/h2-3,5-6,11-12,18,26H,4,7-10H2,1H3,(H,24,29)(H,30,31)(H,32,33)/t12-,18-/m0/s1
InChIKeyHHGYUEIUEHPFEK-SGTLLEGYSA-N
Species of MetaboliteComponentSourceComments
Mycena metata (ncbitaxon:1033252) - PubMed (23330951)
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)
Metatacarboline E (CHEBI:216802) is a harmala alkaloid (CHEBI:61379)
IUPAC Name 
(2S)-1-[3-[3-[[(1S)-1-carboxyethyl]carbamoyl]-9H-pyrido[3,4-b]indol-1-yl]propanoyl]pyrrolidine-2-carboxylic acid
Manual XrefsDatabases
58917835ChemSpider