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CHEBI:138462 - (3R)-1,2-didehydro-3-hydroxy-2,3-dihydrotabersoninium

ChEBI IDCHEBI:138462
ChEBI Name(3R)-1,2-didehydro-3-hydroxy-2,3-dihydrotabersoninium
Stars
ASCII Name(3R)-1,2-didehydro-3-hydroxy-2,3-dihydrotabersoninium
DefinitionAn indole alkaloid cation that is the conjugate acid of (3R)-1,2-didehydro-3-hydroxy-2,3-dihydrotabersonine, obtained by protonation of the tertiary amino group. Major species at pH 7.3.
Last Modified21 November 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H25N2O3
Net Charge+1
Average Mass353.442
Monoisotopic Mass353.18597
SMILESCC[C@]12C=CC[NH+]3CC[C@]4(C(=Nc5ccccc54)[C@@](O)(C(=O)OC)C1)[C@@H]32
InChIInChI=1S/C21H24N2O3/c1-3-19-9-6-11-23-12-10-20(17(19)23)14-7-4-5-8-15(14)22-16(20)21(25,13-19)18(24)26-2/h4-9,17,25H,3,10-13H2,1-2H3/p+1/t17-,19-,20-,21+/m0/s1
InChIKeyDZPMBJHSZPWWDS-ZIBCJSCZSA-O
ChEBI Ontology
Outgoing Relation(s)
(3R)-1,2-didehydro-3-hydroxy-2,3-dihydrotabersoninium (CHEBI:138462) is a indole alkaloid cation (CHEBI:60521)
(3R)-1,2-didehydro-3-hydroxy-2,3-dihydrotabersoninium (CHEBI:138462) is conjugate acid of (3R)-1,2-didehydro-3-hydroxy-2,3-dihydrotabersonine (CHEBI:139124)
Incoming Relation(s)
(3R)-1,2-didehydro-3-hydroxy-2,3-dihydrotabersonine (CHEBI:139124) is conjugate base of (3R)-1,2-didehydro-3-hydroxy-2,3-dihydrotabersoninium (CHEBI:138462)
IUPAC Name 
(3β,5α,9β,12β,19α)-3-hydroxy-3-(methoxycarbonyl)-1,2,6,7-tetradehydroaspidospermidin-9-ium
UniProt Name  Source
(3R)-1,2-didehydro-3-hydroxy-2,3-dihydrotabersonineUniProt
Manual XrefsDatabases
CPD-19891MetaCyc