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CHEBI:142671 - (16S)-deshydroxymethyl-stemmadenine(1+)

ChEBI IDCHEBI:142671
ChEBI Name(16S)-deshydroxymethyl-stemmadenine(1+)
Stars
ASCII Name(16S)-deshydroxymethyl-stemmadenine(1+)
DefinitionAn ammonium ion resulting from the protonation of the tertiary amino group of (16S)-deshydroxymethyl-stemmadenine.
Last Modified17 January 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H25N2O2
Net Charge+1
Average Mass325.432
Monoisotopic Mass325.19105
SMILES[H][C@@]12CC[NH+](CCc3c(nc4ccccc34)[C@H]1C(=O)OC)C/C2=C/C
InChIInChI=1S/C20H24N2O2/c1-3-13-12-22-10-8-14(13)18(20(23)24-2)19-16(9-11-22)15-6-4-5-7-17(15)21-19/h3-7,14,18,21H,8-12H2,1-2H3/p+1/b13-3-/t14-,18-/m0/s1
InChIKeyFWGFCRSCPPSXQL-IPPALFRBSA-O
ChEBI Ontology
Outgoing Relation(s)
(16S)-deshydroxymethyl-stemmadenine(1+) (CHEBI:142671) is a ammonium ion derivative (CHEBI:35274)
(16S)-deshydroxymethyl-stemmadenine(1+) (CHEBI:142671) is conjugate acid of (16S)-deshydroxymethyl-stemmadenine (CHEBI:142942)
Incoming Relation(s)
(16S)-deshydroxymethyl-stemmadenine (CHEBI:142942) is conjugate base of (16S)-deshydroxymethyl-stemmadenine(1+) (CHEBI:142671)
IUPAC Name 
(5E,6R,7S)-5-ethylidene-7-(methoxycarbonyl)-1,2,3,4,5,6,7,8-octahydro-3,6-ethanoazonino[5,4-b]indol-3-ium
Synonym  Source
(16S)-deshydroxymethylstemmadenineChEBI
UniProt Name  Source
(16S)-deshydroxymethyl-stemmadenineUniProt
Citations