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CHEBI:144374 - lochnericine(1+)

ChEBI IDCHEBI:144374
ChEBI Namelochnericine(1+)
Stars
DefinitionAn ammonium ion derivative resulting from the protonation of the tertiary amino group of lochnericine. The major species at pH 7.3.
Last Modified23 October 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H25N2O3
Net Charge+1
Average Mass353.442
Monoisotopic Mass353.18597
SMILES[H][C@@]12[NH+]3CC[C@]14C(=C(C(=O)OC)C[C@]2(CC)[C@H]1O[C@H]1C3)Nc1ccccc14
InChIInChI=1S/C21H24N2O3/c1-3-20-10-12(18(24)25-2)16-21(13-6-4-5-7-14(13)22-16)8-9-23(19(20)21)11-15-17(20)26-15/h4-7,15,17,19,22H,3,8-11H2,1-2H3/p+1/t15-,17-,19-,20+,21-/m0/s1
InChIKeyAUVZFRDLRJQTQF-KXEYLTKFSA-O
ChEBI Ontology
Outgoing Relation(s)
lochnericine(1+) (CHEBI:144374) is a ammonium ion derivative (CHEBI:35274)
lochnericine(1+) (CHEBI:144374) is a indole alkaloid cation (CHEBI:60521)
lochnericine(1+) (CHEBI:144374) is conjugate acid of lochnericine (CHEBI:6510)
Incoming Relation(s)
lochnericine (CHEBI:6510) is conjugate base of lochnericine(1+) (CHEBI:144374)
IUPAC Name 
3-(methoxycarbonyl)-5α,6α,7α,12β,19α-2,3-didehydro-6,7-epoxyaspidospermidin-9-ium
UniProt Name  Source
lochnericineUniProt
Citations