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CHEBI:198071 - Metatacarboline G

ChEBI IDCHEBI:198071
ChEBI NameMetatacarboline G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30N4O6
Net Charge0
Average Mass494.548
Monoisotopic Mass494.21653
SMILESCC[C@H](C)[C@H](NC(=O)c1cc2c(nc3ccccc32)c(CCC(=O)N2CCC[C@H]2C(=O)O)n1)C(=O)O
InChIInChI=1S/C26H30N4O6/c1-3-14(2)22(26(35)36)29-24(32)19-13-16-15-7-4-5-8-17(15)28-23(16)18(27-19)10-11-21(31)30-12-6-9-20(30)25(33)34/h4-5,7-8,13-14,20,22,28H,3,6,9-12H2,1-2H3,(H,29,32)(H,33,34)(H,35,36)/t14-,20-,22-/m0/s1
InChIKeyGYEWKSZSKYZTOR-FSJXIACGSA-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 G (CHEBI:198071) is a harmala alkaloid (CHEBI:61379)
IUPAC Name 
(2S)-1-[3-[3-[[(1S,2S)-1-carboxy-2-methylbutyl]carbamoyl]-9H-pyrido[3,4-b]indol-1-yl]propanoyl]pyrrolidine-2-carboxylic acid
Manual XrefsDatabases
78436315ChemSpider