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CHEBI:146259 - ibogaine(1+)

ChEBI IDCHEBI:146259
ChEBI Nameibogaine(1+)
Stars
DefinitionA tertiary ammonium ion resulting from the protonation of the tertiary amino group of ibogaine.
Last Modified6 March 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H27N2O
Net Charge+1
Average Mass311.449
Monoisotopic Mass311.21179
SMILES[H][C@@]12C[C@H](CC)[C@@]3([H])[C@@]([H])(C1)c1nc4ccc(OC)cc4c1CC[N@@+]3([H])C2
InChIInChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/p+1/t12-,13+,17+,20+/m1/s1
InChIKeyHSIBGVUMFOSJPD-CFDPKNGZSA-O
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
ibogaine(1+) (CHEBI:146259) has functional parent noribogaine(1+) (CHEBI:146258)
ibogaine(1+) (CHEBI:146259) is a tertiary ammonium ion (CHEBI:137982)
ibogaine(1+) (CHEBI:146259) is conjugate acid of ibogaine (CHEBI:5852)
Incoming Relation(s)
ibogaine (CHEBI:5852) is conjugate base of ibogaine(1+) (CHEBI:146259)
IUPAC Name 
(6S,18R)-12-methoxyibogamin-6-ium
UniProt Name  Source
(−)-ibogaineUniProt
Manual XrefsDatabases
IbogaineWikipedia
CPD-21566MetaCyc
Citations