CHEBI:57503 - anthocyanidin 3,5-di-O-β-D-glucoside betaine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name anthocyanidin 3,5-di-O-β-D-glucoside betaine
ChEBI ID CHEBI:57503
ChEBI ASCII Name anthocyanidin 3,5-di-O-beta-D-glucoside betaine
Definition The oxonium betaine of anthocyanidin 3,5-di-O-β-D-glucoside arising from selective deprotonation of the 7-hydroxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Download Molfile XML SDF
Formula C27H28O15R2
Net Charge 0
Average Mass (excl. R groups) 592.503
Monoisotopic Mass (excl. R groups) 592.14282
SMILES OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc([O-])cc3[o+]c2-c2cc([*])c(O)c([*])c2)[C@H](O)[C@@H](O)[C@@H]1O
ChEBI Ontology
Outgoing anthocyanidin 3,5-di-O-β-D-glucoside betaine (CHEBI:57503) is a oxonium betaine (CHEBI:51978)
anthocyanidin 3,5-di-O-β-D-glucoside betaine (CHEBI:57503) is conjugate base of anthocyanidin 3,5-di-O-β-D-glucoside (CHEBI:71510)
Incoming anthocyanidin 3,5-di-O-β-D-glucoside (CHEBI:71510) is conjugate acid of anthocyanidin 3,5-di-O-β-D-glucoside betaine (CHEBI:57503)
Synonym Source
an anthocyanidin 3,5-di-O-β-D-glucoside UniProt
Last Modified
17 April 2014