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CHEBI:142526 - tetrahydroalstonine(1+)

ChEBI IDCHEBI:142526
ChEBI Nametetrahydroalstonine(1+)
Stars
DefinitionAn ammonium ion resulting from the protonation of the tertiary amino group of tetrahydroalstonine. The major microspecies at pH 7.3.
Last Modified15 November 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H25N2O3
Net Charge+1
Average Mass353.442
Monoisotopic Mass353.18597
SMILES[H][C@@]12C[C@]3([H])C(C(=O)OC)=CO[C@@H](C)[C@]3([H])C[NH+]1CCc1c2nc2ccccc12
InChIInChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/p+1/t12-,15-,16-,19-/m0/s1
InChIKeyGRTOGORTSDXSFK-DLLGKBFGSA-O
ChEBI Ontology
Outgoing Relation(s)
tetrahydroalstonine(1+) (CHEBI:142526) is a ammonium ion derivative (CHEBI:35274)
tetrahydroalstonine(1+) (CHEBI:142526) is conjugate acid of tetrahydroalstonine (CHEBI:9479)
Incoming Relation(s)
tetrahydroalstonine (CHEBI:9479) is conjugate base of tetrahydroalstonine(1+) (CHEBI:142526)
IUPAC Name 
(19α,20α)-16-(methoxycarbonyl)-19-methyl-16,17-didehydro-18-oxayohimban-4-ium
UniProt Name  Source
tetrahydroalstonineUniProt