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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cyanidin 3-O-(2-O-β-D-glucuronosyl)-β-D-glucoside(2−)
ChEBI ID CHEBI:77824
ChEBI ASCII Name cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside(2-)
Definition An 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.).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C27H26O17
Net Charge -2
Average Mass 622.48620
Monoisotopic Mass 622.11810
InChI InChI=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
InChIKey QLKOQFLYESIQLL-ZJNQYPEASA-L
SMILES OC[C@H]1O[C@@H](Oc2cc3c([O-])cc([O-])cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C([O-])=O)[C@@H](O)[C@@H]1O
ChEBI Ontology
Outgoing 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 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
Synonym Source
cyanidin 3-O-(2-O-β-D-glucuronosyl)-β-D-glucoside UniProt
Last Modified
23 June 2014