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CHEBI:77824 - cyanidin 3-O-(2-O-β-D-glucuronosyl)-β-D-glucoside(2−)

ChEBI IDCHEBI:77824
ChEBI Namecyanidin 3-O-(2-O-β-D-glucuronosyl)-β-D-glucoside(2−)
Stars
ASCII Namecyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside(2-)
DefinitionAn organic anion obtained by deprotonation of the 5 and 7 positions of cyanidin 3-O-(2-O-β-D-glucuronosyl)-β-D-glucoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified23 June 2014
SubmitterAnne Morgat
DownloadsMolfile
FormulaC27H26O17
Net Charge-2
Average Mass622.488
Monoisotopic Mass622.11810
SMILESO=C([O-])[C@H]1O[C@@H](O[C@H]2[C@H](Oc3cc4c([O-])cc([O-])cc4[o+]c3-c3ccc(O)c(O)c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C27H28O17/c28-7-16-17(33)19(35)24(44-26-21(37)18(34)20(36)23(43-26)25(38)39)27(42-16)41-15-6-10-12(31)4-9(29)5-14(10)40-22(15)8-1-2-11(30)13(32)3-8/h1-6,16-21,23-24,26-28,33-37H,7H2,(H4-,29,30,31,32,38,39)/p-2/t16-,17-,18+,19+,20+,21-,23+,24-,26+,27-/m1/s1
InChIKeyQLKOQFLYESIQLL-ZJNQYPEASA-L
ChEBI Ontology
Outgoing Relation(s)
cyanidin 3-O-(2-O-β-D-glucuronosyl)-β-D-glucoside(2−) (CHEBI:77824) has functional parent cyanidin cation (CHEBI:27843)
cyanidin 3-O-(2-O-β-D-glucuronosyl)-β-D-glucoside(2−) (CHEBI:77824) is a organic anion (CHEBI:25696)
cyanidin 3-O-(2-O-β-D-glucuronosyl)-β-D-glucoside(2−) (CHEBI:77824) is conjugate base of cyanidin 3-O-(2-O-β-D-glucuronosyl)-β-D-glucoside betaine (CHEBI:61317)
Incoming Relation(s)
cyanidin 3-O-(2-O-β-D-glucuronosyl)-β-D-glucoside betaine (CHEBI:61317) is conjugate acid of cyanidin 3-O-(2-O-β-D-glucuronosyl)-β-D-glucoside(2−) (CHEBI:77824)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-3-{[2-O-β-(β-D-glucopyranuronosyl)-β-D-glucopyranosyl]oxy}chromenium-5,7-diolate
UniProt Name  Source
cyanidin 3-O-(2-O-β-D-glucuronosyl)-β-D-glucosideUniProt