CHEBI:58091 - deacetylisoipecoside(1+)

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ChEBI Name deacetylisoipecoside(1+)
ChEBI ID CHEBI:58091
Definition The ammonium ion resulting from addition of a proton to the nitrogen of deacetylisoipecoside.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C25H34NO11
Net Charge +1
Average Mass 524.53760
Monoisotopic Mass 524.21264
InChI InChI=1S/C25H33NO11/c1-3-12-14(7-16-13-8-18(29)17(28)6-11(13)4-5-26-16)15(23(33)34-2)10-35-24(12)37-25-22(32)21(31)20(30)19(9-27)36-25/h3,6,8,10,12,14,16,19-22,24-32H,1,4-5,7,9H2,2H3/p+1/t12-,14+,16+,19-,20-,21+,22-,24+,25+/m1/s1
InChIKey MTAVTRZTGFLKSC-ONGZBVEHSA-O
SMILES [H][C@@]1(C[C@]2([H])C(=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]2([H])C=C)C(=O)OC)[NH2+]CCc2cc(O)c(O)cc12
ChEBI Ontology
Outgoing deacetylisoipecoside(1+) (CHEBI:58091) is a ammonium ion derivative (CHEBI:35274)
deacetylisoipecoside(1+) (CHEBI:58091) is a organic anion (CHEBI:25696)
deacetylisoipecoside(1+) (CHEBI:58091) is conjugate acid of deacetylisoipecoside (CHEBI:17286)
Incoming deacetylisoipecoside (CHEBI:17286) is conjugate base of deacetylisoipecoside(1+) (CHEBI:58091)
IUPAC Name
(2S,3R,4S)-4-{[(1S)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolinium-1-yl]methyl}-3-ethenyl-5-(methoxycarbonyl)-3,4-dihydro-2H-pyran-2-yl β-D-glucopyranoside
Synonyms Sources
deacetylisoipecoside UniProt
deacetylisoipecoside cation ChEBI
Last Modified
24 January 2025