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CHEBI:224916 - Metatacarboline C

ChEBI IDCHEBI:224916
ChEBI NameMetatacarboline C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H24N4O7
Net Charge0
Average Mass468.466
Monoisotopic Mass468.16450
SMILESO=C(N[C@@H](CO)C(=O)O)c1cc2c(nc3ccccc32)c(CCC(=O)N2CCC[C@H]2C(=O)O)n1
InChIInChI=1S/C23H24N4O7/c28-11-17(22(31)32)26-21(30)16-10-13-12-4-1-2-5-14(12)25-20(13)15(24-16)7-8-19(29)27-9-3-6-18(27)23(33)34/h1-2,4-5,10,17-18,25,28H,3,6-9,11H2,(H,26,30)(H,31,32)(H,33,34)/t17-,18-/m0/s1
InChIKeyRTIKBNGBTGXMPZ-ROUUACIJSA-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 C (CHEBI:224916) is a harmala alkaloid (CHEBI:61379)
IUPAC Name 
(2S)-1-[3-[3-[[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl]-9H-pyrido[3,4-b]indol-1-yl]propanoyl]pyrrolidine-2-carboxylic acid
Manual XrefsDatabases
58917833ChemSpider