CHEBI:58930 - 16-methoxytabersoninium(1+)

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ChEBI Name 16-methoxytabersoninium(1+)
ChEBI ID CHEBI:58930
Definition Conjugate acid of 16-methoxytabersonine arising from protonation of the endocyclic tertiary amino group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C22H27N2O3
Net Charge +1
Average Mass 367.46140
Monoisotopic Mass 367.20162
InChI InChI=1S/C22H26N2O3/c1-4-21-8-5-10-24-11-9-22(20(21)24)16-7-6-14(26-2)12-17(16)23-18(22)15(13-21)19(25)27-3/h5-8,12,20,23H,4,9-11,13H2,1-3H3/p+1/t20-,21-,22-/m0/s1
InChIKey AEXBRBWRPNGGEZ-FKBYEOEOSA-O
SMILES [H][C@@]12[NH+]3CC[C@]11C(Nc4cc(OC)ccc14)=C(C[C@]2(CC)C=CC3)C(=O)OC
ChEBI Ontology
Outgoing 16-methoxytabersoninium(1+) (CHEBI:58930) is a ammonium ion (CHEBI:35274)
16-methoxytabersoninium(1+) (CHEBI:58930) is conjugate acid of 16-methoxytabersonine (CHEBI:769)
Incoming 16-methoxytabersonine (CHEBI:769) is conjugate base of 16-methoxytabersoninium(1+) (CHEBI:58930)
IUPAC Name
methyl 16-methoxy-2,3,6,7-tetradehydro-5α,12β,19α-aspidospermidin-9-ium-3-carboxylate
Synonyms Sources
16-methoxytabersonine UniProt
16-methoxytabersoninium cation ChEBI
Last Modified
02 July 2014