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

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ChEBI Name 3α(S)-strictosidinium(1+)
ChEBI ID CHEBI:58193
ChEBI ASCII Name 3alpha(S)-strictosidinium(1+)
Definition Conjugate base of 3α(S)-strictosidine 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 C27H35N2O9
Net Charge +1
Average Mass 531.57480
Monoisotopic Mass 531.23371
InChI InChI=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
InChIKey XBAMJZTXGWPTRM-NTXHKPOFSA-O
SMILES [H][C@@]1(C[C@H]2[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+]CCc2c1[nH]c1ccccc21
ChEBI Ontology
Outgoing 3α(S)-strictosidinium(1+) (CHEBI:58193) is a indole alkaloid cation (CHEBI:60521)
3α(S)-strictosidinium(1+) (CHEBI:58193) is conjugate base of 3α(S)-strictosidine (CHEBI:17559)
Incoming 3α(S)-strictosidine (CHEBI:17559) is conjugate acid 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 Sources
3α(S)-strictosidine UniProt
3α(S)-strictosidinium ChEBI
3α(S)-strictosidinium cation ChEBI
Last Modified
25 June 2024