CHEBI:58239 - 16-hydroxytabersoninium

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ChEBI Name 16-hydroxytabersoninium
ChEBI ID CHEBI:58239
Definition The indole alkaloid cation that is the conjugate acid of 16-hydroxytabersonine, arising from protonation of the tertiary amino function; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H25N2O3
Net Charge +1
Average Mass 353.43480
Monoisotopic Mass 353.18597
InChI InChI=1S/C21H24N2O3/c1-3-20-7-4-9-23-10-8-21(19(20)23)15-6-5-13(24)11-16(15)22-17(21)14(12-20)18(25)26-2/h4-7,11,19,22,24H,3,8-10,12H2,1-2H3/p+1/t19-,20-,21-/m0/s1
InChIKey FXUFRJQCBVSCRZ-ACRUOGEOSA-O
SMILES [H][C@@]12[NH+]3CC[C@]11C(Nc4cc(O)ccc14)=C(C[C@]2(CC)C=CC3)C(=O)OC
ChEBI Ontology
Outgoing 16-hydroxytabersoninium (CHEBI:58239) is a indole alkaloid cation (CHEBI:60521)
16-hydroxytabersoninium (CHEBI:58239) is conjugate acid of 16-hydroxytabersonine (CHEBI:17699)
Incoming 16-hydroxytabersonine (CHEBI:17699) is conjugate base of 16-hydroxytabersoninium (CHEBI:58239)
IUPAC Name
(5α,9β,12β,19α)-16-hydroxy-3-(methoxycarbonyl)-2,3,6,7-tetradehydroaspidospermidin-9-ium
Synonyms Sources
16-hydroxytabersonine UniProt
16-hydroxytabersoninium cation ChEBI
16-hydroxytabersoninium(1+) ChEBI
Last Modified
02 July 2014