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CHEBI:229559 - 6-O-methyl-N-deacetylipecoside aglycone(1+)

ChEBI IDCHEBI:229559
ChEBI Name6-O-methyl-N-deacetylipecoside aglycone(1+)
Stars
ASCII Name6-O-methyl-N-deacetylipecoside aglycone(1+)
DefinitionAn organic cation that is the conjugate acid of 6-O-methyl-deacetylipecoside aglycone, arising from protonation of the secondary amino group; major species at pH 7.3.
Last Modified24 January 2025
SubmitterAnne Morgat
DownloadsMolfile
FormulaC20H26NO6
Net Charge+1
Average Mass376.429
Monoisotopic Mass376.17546
SMILES[H][C@]1(C[C@]2([H])C(C(=O)OC)=CO[C@@H](O)[C@]2([H])C=C)[NH2+]CCc2cc(OC)c(O)cc21
InChIInChI=1S/C20H25NO6/c1-4-12-14(15(19(23)26-3)10-27-20(12)24)8-16-13-9-17(22)18(25-2)7-11(13)5-6-21-16/h4,7,9-10,12,14,16,20-22,24H,1,5-6,8H2,2-3H3/p+1/t12-,14+,16-,20-/m1/s1
InChIKeyKOBLTMOWUOJKTH-SOKAGXEVSA-O
ChEBI Ontology
Outgoing Relation(s)
6-O-methyl-N-deacetylipecoside aglycone(1+) (CHEBI:229559) has functional parent deacetylipecoside aglycone(1+) (CHEBI:229554)
6-O-methyl-N-deacetylipecoside aglycone(1+) (CHEBI:229559) is a ammonium ion derivative (CHEBI:35274)
6-O-methyl-N-deacetylipecoside aglycone(1+) (CHEBI:229559) is a organic cation (CHEBI:25697)
UniProt Name  Source
6-O-methyldeacetylipecoside aglyconeUniProt
Citations