EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:229554 - deacetylipecoside aglycone(1+)

ChEBI IDCHEBI:229554
ChEBI Namedeacetylipecoside aglycone(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of deacetylipecoside aglycone, arising from protonation of the secondary amino group; major species at pH 7.3
Last Modified24 January 2025
SubmitterAnne Morgat
DownloadsMolfile
FormulaC19H24NO6
Net Charge+1
Average Mass362.402
Monoisotopic Mass362.15981
SMILES[H][C@]1(C[C@]2([H])C(C(=O)OC)=CO[C@@H](O)[C@]2([H])C=C)[NH2+]CCc2cc(O)c(O)cc21
InChIInChI=1S/C19H23NO6/c1-3-11-13(14(18(23)25-2)9-26-19(11)24)7-15-12-8-17(22)16(21)6-10(12)4-5-20-15/h3,6,8-9,11,13,15,19-22,24H,1,4-5,7H2,2H3/p+1/t11-,13+,15-,19-/m1/s1
InChIKeyFITCZSHJHBKURR-WTZBSYPQSA-O
ChEBI Ontology
Outgoing Relation(s)
deacetylipecoside aglycone(1+) (CHEBI:229554) is a organic cation (CHEBI:25697)
deacetylipecoside aglycone(1+) (CHEBI:229554) is a terpenoid (CHEBI:26873)
Incoming Relation(s)
6-O-methyl-N-deacetylipecoside aglycone(1+) (CHEBI:229559) has functional parent deacetylipecoside aglycone(1+) (CHEBI:229554)
UniProt Name  Source
deacetylipecoside aglyconeUniProt
Citations