CHEBI:77935 - cyanidin 3-O-β-D-galactoside(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cyanidin 3-O-β-D-galactoside(1−)
ChEBI ID CHEBI:77935
ChEBI ASCII Name cyanidin 3-O-beta-D-galactoside(1-)
Definition A phenolate anion obtained by deprotonation of the 5- and 7-hydroxy groups of cyanidin 3-O-β-D-galactoside. 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 KAX
Supplier Information
Download Molfile XML SDF
Formula C21H19O11
Net Charge -1
Average Mass 447.36950
Monoisotopic Mass 447.09329
InChI InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p-1/t16-,17+,18+,19-,21-/m1/s1
InChIKey RKWHWFONKJEUEF-WVXKDWSHSA-M
SMILES OC[C@H]1O[C@@H](Oc2cc3c([O-])cc([O-])cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O
Roles Classification
Biological Role(s): food component
A physiological role played by any substance that is distributed in foodstuffs. It includes materials derived from plants or animals, such as vitamins or minerals, as well as environmental contaminants.
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 cyanidin 3-O-β-D-galactoside(1−) (CHEBI:77935) has role food component (CHEBI:78295)
cyanidin 3-O-β-D-galactoside(1−) (CHEBI:77935) has role plant metabolite (CHEBI:76924)
cyanidin 3-O-β-D-galactoside(1−) (CHEBI:77935) is a phenolate anion (CHEBI:50525)
cyanidin 3-O-β-D-galactoside(1−) (CHEBI:77935) is conjugate base of cyanidin 3-O-β-D-galactoside betaine (CHEBI:71515)
Incoming cyanidin 3-O-β-D-galactoside betaine (CHEBI:71515) is conjugate acid of cyanidin 3-O-β-D-galactoside(1−) (CHEBI:77935)
IUPAC Name
2-(3,4-dihydroxyphenyl)-3-(β-D-galactopyranosyloxy)chromenium-5,7-diolate
Synonym Source
cyanidin 3-O-β-D-galactoside UniProt
Last Modified
10 June 2014