KEGG   COMPOUND: C12137Help
Entry
C12137                      Compound                               

Name
Pelargonidin 3-O-glucoside;
Pelargonidin 3-glucoside;
Pelargonidin 3-O-beta-D-glucoside
Formula
C21H21O10
Exact mass
433.1135
Mol weight
433.3854
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Anthocyanin biosynthesis
Metabolic pathways
Biosynthesis of secondary metabolites
Enzyme
2.3.1.171       2.3.1.215       2.4.1.115       2.4.1.297       
2.4.1.298       2.4.1.299       2.4.1.300       2.4.1.-         
2.4.2.51
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1201 Anthocyanidins
    C12137  Pelargonidin 3-O-glucoside
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Anthocyanidins and anthocyanins
    C12137  Pelargonidin 3-O-glucoside
BRITE hierarchy
Other DBs
CAS: 
18466-51-8
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        31
            1   C8y C    28.8728  -14.8166
            2   C8y C    28.8669  -16.2172
            3   C8y C    30.0924  -14.1164
            4   O2x O    27.6648  -14.1047 #+
            5   O2a O    29.9697  -16.8531
            6   C8x C    27.6532  -16.9115
            7   C8x C    31.3061  -14.8224
            8   C8x C    30.0924  -12.7101
            9   C8y C    26.4452  -14.8049
            10  C1y C    31.2828  -17.6235
            11  C8y C    26.4393  -16.2055
            12  C8x C    32.5258  -14.1221
            13  C8x C    31.3121  -12.0098
            14  C8x C    25.2313  -14.0989
            15  O2x O    31.2828  -19.0181
            16  C1y C    32.4967  -16.9232
            17  C8y C    25.2313  -16.9058
            18  C8y C    32.5315  -12.7158
            19  C8y C    24.0176  -14.8049
            20  C1y C    32.4967  -19.7184
            21  C1y C    33.6987  -17.6235
            22  O1a O    32.4967  -15.5286
            23  C8x C    24.0176  -16.2055
            24  O1a O    25.2313  -18.3004
            25  O1a O    33.7395  -12.0215
            26  O1a O    22.8096  -14.1106
            27  C1y C    33.6987  -19.0181
            28  C1b C    32.4967  -21.1132
            29  O1a O    34.9124  -16.9232
            30  O1a O    34.9124  -19.7126
            31  O1a O    31.2887  -21.8134
BOND        34
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9    10   5 1 #Up
            10    6  11 1
            11    7  12 1
            12    8  13 2
            13    9  14 1
            14   10  15 1
            15   10  16 1
            16   11  17 1
            17   12  18 2
            18   14  19 2
            19   15  20 1
            20   16  21 1
            21   16  22 1 #Down
            22   17  23 2
            23   17  24 1
            24   18  25 1
            25   19  26 1
            26   20  27 1
            27   20  28 1 #Up
            28   21  29 1 #Up
            29   27  30 1 #Down
            30   28  31 1
            31    9  11 2
            32   13  18 1
            33   19  23 1
            34   21  27 1

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