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CHEBI:146230 - (−)-voacangine(1+)

ChEBI IDCHEBI:146230
ChEBI Name(−)-voacangine(1+)
Stars
ASCII Name(-)-voacangine(1+)
DefinitionAn ammonium ion derivative resulting from the protonation of the tertiary amino group of (−)-voacangine. The major species at pH 7.3.
Last Modified4 March 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC22H29N2O3
Net Charge+1
Average Mass369.485
Monoisotopic Mass369.21727
SMILES[H][C@]12C[C@H](CC)[C@]3([H])[NH+](CCc4c(nc5ccc(OC)cc45)[C@]3(C(=O)OC)C1)C2
InChIInChI=1S/C22H28N2O3/c1-4-14-9-13-11-22(21(25)27-3)19-16(7-8-24(12-13)20(14)22)17-10-15(26-2)5-6-18(17)23-19/h5-6,10,13-14,20,23H,4,7-9,11-12H2,1-3H3/p+1/t13-,14-,20-,22+/m0/s1
InChIKeyMMAYTCMMKJYIAM-RUGRQLENSA-O
ChEBI Ontology
Outgoing Relation(s)
(−)-voacangine(1+) (CHEBI:146230) is a ammonium ion derivative (CHEBI:35274)
(−)-voacangine(1+) (CHEBI:146230) is conjugate acid of (−)-voacangine (CHEBI:141966)
Incoming Relation(s)
(−)-voacangine (CHEBI:141966) is conjugate base of (−)-voacangine(1+) (CHEBI:146230)
IUPAC Name 
(6ξ)-12-methoxy-18-(methoxycarbonyl)-2α-ibogamin-6-ium
UniProt Name  Source
(−)-voacangineUniProt
Citations