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CHEBI:142675 - catharanthine(1+)

ChEBI IDCHEBI:142675
ChEBI Namecatharanthine(1+)
Stars
DefinitionAn ammonium ion resulting from thr protonation of the tertiary amino group of catharanthine.
Last Modified3 December 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H25N2O2
Net Charge+1
Average Mass337.443
Monoisotopic Mass337.19105
SMILES[H][C@]12C=C(CC)[C@@]3([H])[NH+](CCc4c(nc5ccccc45)[C@@]3(C(=O)OC)C1)C2
InChIInChI=1S/C21H24N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,10,13,19,22H,3,8-9,11-12H2,1-2H3/p+1/t13-,19+,21-/m0/s1
InChIKeyCMKFQVZJOWHHDV-NQZBTDCJSA-O
ChEBI Ontology
Outgoing Relation(s)
catharanthine(1+) (CHEBI:142675) is a ammonium ion derivative (CHEBI:35274)
catharanthine(1+) (CHEBI:142675) is conjugate acid of catharanthine (CHEBI:3469)
Incoming Relation(s)
catharanthine (CHEBI:3469) is conjugate base of catharanthine(1+) (CHEBI:142675)
IUPAC Name 
(2α,18β)-18-(methoxycarbonyl)-3,4-didehydroibogamin-6-ium
UniProt Name  Source
catharanthineUniProt
Manual XrefsDatabases
CPD-7859MetaCyc