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CHEBI:57893 - tabersoninium(1+)

ChEBI IDCHEBI:57893
ChEBI Nametabersoninium(1+)
Stars
DefinitionConjugate acid of tabersonine arising from protonation of the tertiary amino group; major species at pH 7.3.
Last Modified29 July 2019
DownloadsMolfile
FormulaC21H25N2O2
Net Charge+1
Average Mass337.443
Monoisotopic Mass337.19105
SMILES[H][C@]12[NH+]3CC=C[C@@]1(CC)CC(C(=O)OC)=C1Nc4ccccc4[C@@]12CC3
InChIInChI=1S/C21H24N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-9,19,22H,3,10-13H2,1-2H3/p+1/t19-,20-,21-/m0/s1
InChIKeyFNGGIPWAZSFKCN-ACRUOGEOSA-O
ChEBI Ontology
Outgoing Relation(s)
tabersoninium(1+) (CHEBI:57893) is a indole alkaloid cation (CHEBI:60521)
tabersoninium(1+) (CHEBI:57893) is conjugate acid of tabersonine (CHEBI:16776)
Incoming Relation(s)
tabersonine (CHEBI:16776) is conjugate base of tabersoninium(1+) (CHEBI:57893)
IUPAC Name 
methyl 2,3,6,7-tetradehydro-5α,12β,19α-aspidospermidin-9-ium-3-carboxylate
Synonyms  Source
tabersoniniumChEBI
tabersonine(1+)ChEBI
tabersonine cationChEBI
tabersoninium cationChEBI
UniProt Name  Source
(−)-tabersonineUniProt