EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:142673 - O-acetyl-15α-stemmadenine(1+)

ChEBI IDCHEBI:142673
ChEBI NameO-acetyl-15α-stemmadenine(1+)
Stars
ASCII NameO-acetyl-15alpha-stemmadenine(1+)
DefinitionAn ammonium ion resulting from the protonation of the tertiary amino group of O-acetyl-15α-stemmadenine. The major species at pH 7.3.
Last Modified3 January 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC23H29N2O4
Net Charge+1
Average Mass397.495
Monoisotopic Mass397.21218
SMILES[H][C@@]12CC[NH+](CCc3c(nc4ccccc34)[C@@]1(COC(C)=O)C(=O)OC)C/C2=C/C
InChIInChI=1S/C23H28N2O4/c1-4-16-13-25-11-9-18-17-7-5-6-8-20(17)24-21(18)23(22(27)28-3,14-29-15(2)26)19(16)10-12-25/h4-8,19,24H,9-14H2,1-3H3/p+1/b16-4-/t19-,23-/m0/s1
InChIKeyZNCUMLJVNWXVLT-ISNKGDJGSA-O
ChEBI Ontology
Outgoing Relation(s)
O-acetyl-15α-stemmadenine(1+) (CHEBI:142673) is a ammonium ion derivative (CHEBI:35274)
O-acetyl-15α-stemmadenine(1+) (CHEBI:142673) is conjugate acid of O-acetyl-15α-stemmadenine (CHEBI:142836)
Incoming Relation(s)
O-acetyl-15α-stemmadenine (CHEBI:142836) is conjugate base of O-acetyl-15α-stemmadenine(1+) (CHEBI:142673)
UniProt Name  Source
O-acetyl-15α-stemmadenineUniProt
Manual XrefsDatabases
CPD-21548MetaCyc
Citations