Details of Metabolite

General Information of MET (ID: META00944)
Name Pelargonidin 3-glucoside
Synonyms   Click to Show/Hide Synonyms of This Metabolite
3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride; 3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium chloride; Callistephin; Pelargonidin 3-O-beta-D-glucoside; Pelargonidin 3-O-glucoside; Pelargonidin 3-glucoside; Pelargonidin-3-Glu; Pelargonidin-3-glucopyranoside; Pelargonidin-3-glucoside
Source Aromatic heteropolycyclic compounds
Structure Type   Flavonoid glycosides  (Click to Show/Hide the Complete Structure Type Hierarchy)
Phenylpropanoids and polyketides
Flavonoids
Flavonoid glycosides
PubChem CID
443648
HMDB ID
HMDB0240551
Formula
C21H21O10
Structure
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3D MOL 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
KEGG ID
C12137
ChEBI ID
31967
ChemSpider ID
391782
Physicochemical Properties Molecular Weight 433.4 Topological Polar Surface Area 161
XlogP N.A. Complexity 585
Heavy Atom Count 31 Rotatable Bond Count 4
Hydrogen Bond Donor Count 7 Hydrogen Bond Acceptor Count 9
Function
Pelargonidin 3-glucoside, also known as callistephin, belongs to the class of organic compounds known as anthocyanidin-3-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. Pelargonidin 3-glucoside is an extremely weak basic (essentially neutral) compound (based on its pKa). An anthocyanin cation consisting of pelargonidin having a beta-D-glucosyl residue attached at the 3-hydroxy position.
Regulatory Network
Full List of Protein(s) Regulating This Metabolite
      Transcription factor (TF)
            R2R3-MYB (AN2) Click to Show/Hide the Full List of Regulating Pair(s):   1 Pair(s)
               Detailed Information Protein   Info click to show the details of this protein
               Regulating Pair Experim Info click to show the details of experiment for validating this pair [1]
                      Introduced Variation Overexpression of AN2
                      Induced Change Pelargonidin 3-glucoside concentration: increase (FC = 20)
                      Summary Introduced Variation         Induced Change 
                      Disease Status Healthy individual
                      Details It is reported that overexpression of AN2 leads to the increase of pelargonidin 3-glucoside levels compared with control group.
References
1 Comprehensive Influences of Overexpression of a MYB Transcriptor Regulating Anthocyanin Biosynthesis on Transcriptome and Metabolome of Tobacco Leaves. Int J Mol Sci. 2019 Oct 16;20(20):5123.

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