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CHEBI:144376 - 19-O-acetylhörhammericine(1+)

ChEBI IDCHEBI:144376
ChEBI Name19-O-acetylhörhammericine(1+)
Stars
ASCII Name19-O-acetylhoerhammericine(1+)
DefinitionAn ammonium ion derivative resulting from the protonation of the tertiary amino group of 19-O-acetylhörhammericine. The major species at pH 7.3. Note the stereoconfiguration of the epoxy group is based on CHEBI:144374, and of the 19-acetoxy group on CHEBI:144372.
Last Modified11 November 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC23H27N2O5
Net Charge+1
Average Mass411.478
Monoisotopic Mass411.19145
SMILES[H][C@@]12[NH+]3CC[C@]14C(=C(C(=O)OC)C[C@]2([C@@H](C)OC(C)=O)[C@H]1O[C@H]1C3)Nc1ccccc14
InChIInChI=1S/C23H26N2O5/c1-12(29-13(2)26)23-10-14(20(27)28-3)18-22(15-6-4-5-7-16(15)24-18)8-9-25(21(22)23)11-17-19(23)30-17/h4-7,12,17,19,21,24H,8-11H2,1-3H3/p+1/t12-,17+,19+,21-,22+,23+/m1/s1
InChIKeyUHJSNZNSAVJLSA-TZQKRGQNSA-O
ChEBI Ontology
Outgoing Relation(s)
19-O-acetylhörhammericine(1+) (CHEBI:144376) is a ammonium ion derivative (CHEBI:35274)
19-O-acetylhörhammericine(1+) (CHEBI:144376) is a indole alkaloid cation (CHEBI:60521)
19-O-acetylhörhammericine(1+) (CHEBI:144376) is conjugate acid of 19-O-acetylhörhammericine (CHEBI:145333)
Incoming Relation(s)
19-O-acetylhörhammericine (CHEBI:145333) is conjugate base of 19-O-acetylhörhammericine(1+) (CHEBI:144376)
IUPAC Name 
(20R)-20-acetoxy-3-(methoxycarbonyl)-5α,6α,7α,12β,19α-2,3-didehydro-6,7-epoxyaspidospermidin-9-ium
UniProt Name  Source
19-O-acetylhorhammericineUniProt
Citations