CHEBI:58379 - deacetylipecoside(1+)

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ChEBI Name deacetylipecoside(1+)
ChEBI ID CHEBI:58379
Definition An organic cation that is the conjugate acid of deacetylipecoside, arising from protonation of the secondary amino group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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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-MDXCLUIBSA-O
SMILES [H][C@]1(C[C@@]2([H])[C@@H](C=C)[C@@H](OC=C2C(=O)OC)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[NH2+]CCc2cc(O)c(O)cc12
ChEBI Ontology
Outgoing deacetylipecoside(1+) (CHEBI:58379) is a organic cation (CHEBI:25697)
deacetylipecoside(1+) (CHEBI:58379) is conjugate acid of deacetylipecoside (CHEBI:18106)
Incoming deacetylipecoside (CHEBI:18106) is conjugate base of deacetylipecoside(1+) (CHEBI:58379)
IUPAC Name
(2S,3R,4S)-3-ethenyl-4-{[(1R)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolinium-1-yl]methyl}-5-(methoxycarbonyl)-3,4-dihydro-2H-pyran-2-yl β-D-glucopyranoside
Synonyms Sources
deacetylipecoside UniProt
deacetylipecoside cation ChEBI
Last Modified
13 November 2017