CHEBI:31967 - pelargonidin 3-O-β-D-glucoside

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ChEBI Name pelargonidin 3-O-β-D-glucoside
ChEBI ID CHEBI:31967
ChEBI ASCII Name pelargonidin 3-O-beta-D-glucoside
Definition An anthocyanin cation consisting of pelargonidin having a β-D-glucosyl residue attached at the 3-hydroxy position.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C21H21O10
Net Charge +1
Average Mass 433.38544
InChI InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p+1/t16-,17-,18+,19-,21-/m1/s1
InChIKey ABVCUBUIXWJYSE-GQUPQBGVSA-O
SMILES OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing pelargonidin 3-O-β-D-glucoside (CHEBI:31967) has functional parent pelargonidin (CHEBI:25863)
pelargonidin 3-O-β-D-glucoside (CHEBI:31967) has role plant metabolite (CHEBI:76924)
pelargonidin 3-O-β-D-glucoside (CHEBI:31967) is a β-D-glucoside (CHEBI:22798)
pelargonidin 3-O-β-D-glucoside (CHEBI:31967) is a anthocyanin cation (CHEBI:35218)
Incoming pelargonidin 3-O-β-D-glucoside chloride (CHEBI:36122) has part pelargonidin 3-O-β-D-glucoside (CHEBI:31967)
IUPAC Name
3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-4'-hydroxyflavylium
Synonyms Sources
3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride ChemIDplus
3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium chloride ChEBI
callistephin ChEBI
Pelargonidin 3-glucoside KEGG COMPOUND
Pelargonidin 3-O-beta-D-glucoside KEGG COMPOUND
Pelargonidin 3-O-glucoside KEGG COMPOUND
Pelargonidin-3-glucopyranoside ChemIDplus
Pelargonidin-3-glucoside ChemIDplus
Database Links Databases
C00006630 KNApSAcK
C12137 KEGG COMPOUND
Callistephin Wikipedia
LMPK12010016 LIPID MAPS
PELARGONIDIN-3-GLUCOSIDE-CMPD MetaCyc
View more database links
Registry Numbers Types Sources
1672351 Beilstein Registry Number Beilstein
18466-51-8 CAS Registry Number KEGG COMPOUND
18466-51-8 CAS Registry Number ChemIDplus
3901091 Reaxys Registry Number Reaxys
3919123 Beilstein Registry Number Beilstein
Citation Waiting for Citations Type Source
15656691 PubMed citation CiteXplore
Last Modified
28 juillet 2014
General Comment
2005-06-27 The major anthocyanin present in ripe strawberries.