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CHEBI:144379 - (+)-echitovenine(1+)

ChEBI IDCHEBI:144379
ChEBI Name(+)-echitovenine(1+)
Stars
DefinitionAn ammonium ion resulting from the protonation of the tertiary amino group of (+)-echitovenine. The major species at pH 7.3. Note the stereoconfiguration of the 19 hydroxy group is based on CHEBI:144371 (and Fig. S10).
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC23H29N2O4
Net Charge+1
Average Mass397.495
Monoisotopic Mass397.21218
SMILES[H][C@@]12[NH+]3CCC[C@]1(C(C)OC(C)=O)CC(C(=O)OC)=C1Nc4ccccc4[C@]12CC3
InChIInChI=1S/C23H28N2O4/c1-14(29-15(2)26)22-9-6-11-25-12-10-23(21(22)25)17-7-4-5-8-18(17)24-19(23)16(13-22)20(27)28-3/h4-5,7-8,14,21,24H,6,9-13H2,1-3H3/p+1/t14?,21-,22-,23-/m1/s1
InChIKeyUELNVPGLHDEZFM-WWGYGDJHSA-O
ChEBI Ontology
Outgoing Relation(s)
(+)-echitovenine(1+) (CHEBI:144379) is a ammonium ion derivative (CHEBI:35274)
(+)-echitovenine(1+) (CHEBI:144379) is a indole alkaloid cation (CHEBI:60521)
(+)-echitovenine(1+) (CHEBI:144379) is enantiomer of (−)-echitovenine(1+) (CHEBI:144384)
Incoming Relation(s)
(−)-echitovenine(1+) (CHEBI:144384) is enantiomer of (+)-echitovenine(1+) (CHEBI:144379)
UniProt Name  Source
(+)-echitovenineUniProt
Citations