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CHEBI:142754 - akuammicine(1+)

ChEBI IDCHEBI:142754
ChEBI Nameakuammicine(1+)
Stars
DefinitionAn ammonium ion that is the conjugate acid of akuammicine, arising from the protonation of the tertiary amino group.
Last Modified10 December 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H23N2O2
Net Charge+1
Average Mass323.416
Monoisotopic Mass323.17540
SMILES[H][C@@]12C[C@@H]3[NH+](CC[C@]34C(=C1C(=O)OC)Nc1ccccc14)C/C2=C/C
InChIInChI=1S/C20H22N2O2/c1-3-12-11-22-9-8-20-14-6-4-5-7-15(14)21-18(20)17(19(23)24-2)13(12)10-16(20)22/h3-7,13,16,21H,8-11H2,1-2H3/p+1/b12-3-/t13-,16-,20+/m0/s1
InChIKeyAGZMFTKKLPHOMT-DUJTVWLASA-O
ChEBI Ontology
Outgoing Relation(s)
akuammicine(1+) (CHEBI:142754) is a ammonium ion derivative (CHEBI:35274)
akuammicine(1+) (CHEBI:142754) is conjugate acid of akuammicine (CHEBI:70499)
Incoming Relation(s)
akuammicine (CHEBI:70499) is conjugate base of akuammicine(1+) (CHEBI:142754)
IUPAC Name 
(19E)-17-methoxy-17-oxo-2,16-didehydrocur-19-en-4-ium
UniProt Name  Source
akuammicineUniProt
Manual XrefsDatabases
CPD-21553MetaCyc