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CHEBI:58193 - 3α(S)-strictosidinium(1+)

ChEBI IDCHEBI:58193
ChEBI Name3α(S)-strictosidinium(1+)
Stars
ASCII Name3alpha(S)-strictosidinium(1+)
DefinitionConjugate acid of 3α(S)-strictosidine arising from protonation of the secondary amino group; major species at pH 7.3.
Last Modified23 August 2024
DownloadsMolfile
FormulaC27H35N2O9
Net Charge+1
Average Mass531.582
Monoisotopic Mass531.23371
SMILES[H][C@@]1(C[C@@H]2C(C(=O)OC)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2C=C)[NH2+]CCc2c1nc1ccccc21
InChIInChI=1S/C27H34N2O9/c1-3-13-16(10-19-21-15(8-9-28-19)14-6-4-5-7-18(14)29-21)17(25(34)35-2)12-36-26(13)38-27-24(33)23(32)22(31)20(11-30)37-27/h3-7,12-13,16,19-20,22-24,26-33H,1,8-11H2,2H3/p+1/t13-,16+,19+,20-,22-,23+,24-,26+,27+/m1/s1
InChIKeyXBAMJZTXGWPTRM-NTXHKPOFSA-O
ChEBI Ontology
Outgoing Relation(s)
3α(S)-strictosidinium(1+) (CHEBI:58193) is a indole alkaloid cation (CHEBI:60521)
3α(S)-strictosidinium(1+) (CHEBI:58193) is conjugate acid of 3α(S)-strictosidine (CHEBI:17559)
Incoming Relation(s)
3α(S)-strictosidine (CHEBI:17559) is conjugate base of 3α(S)-strictosidinium(1+) (CHEBI:58193)
IUPAC Name 
(2S,3R,4S)-5-(methoxycarbonyl)-4-[(1S)-2,3,4,9-tetrahydro-1H-β-carbolin-2-ium-1-ylmethyl]-3-vinyl-3,4-dihydro-2H-pyran-2-yl β-D-glucopyranoside
Synonyms  Source
3α(S)-strictosidiniumChEBI
3α(S)-strictosidinium cationChEBI
UniProt Name  Source
3α(S)-strictosidineUniProt