KEGG   COMPOUND: C06186Help
Entry
C06186                      Compound                               

Name
Arbutin;
Ursin;
Uvasol;
Hydroquinone-O-beta-D-glucopyranoside
Formula
C12H16O7
Exact mass
272.0896
Mol weight
272.2512
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00010  Glycolysis / Gluconeogenesis
map02060  Phosphotransferase system (PTS)
Enzyme
2.4.1.218       2.7.1.-
Brite
Target-based classification of compounds [BR:br08010]
 Enzymes
  Oxidoreductases
   tyrosinase
    C06186  Arbutin
Major components of natural products [BR:br08323]
 Crude drugs
  Bearberry leaf
   C06186  Arbutin
  Uva ursi fluidextract
   C06186  Arbutin
 Medicinal herbs
  Bearberry
   C06186  Arbutin
BRITE hierarchy
Other DBs
CAS: 497-76-7
PubChem: 8437
ChEBI: 18305
ChEMBL: CHEMBL232202 CHEMBL4109994
KNApSAcK: C00002638
3DMET: B01987
NIKKAJI: J6.104B
KCF data Show

ATOM        19
            1   C1y C    25.0425  -14.4491
            2   O2x O    23.8349  -13.7433
            3   C1y C    25.0425  -15.8550
            4   O2a O    26.2558  -13.7491
            5   C1y C    22.6156  -14.4491
            6   C1y C    23.8349  -16.5492
            7   O1a O    26.2558  -16.5492
            8   C8y C    27.4634  -14.4433
            9   C1y C    22.6156  -15.8550
            10  C1b C    21.3964  -13.7433
            11  O1a O    23.8349  -17.9551
            12  C8x C    27.4634  -15.8375
            13  C8x C    28.6769  -13.7433
            14  O1a O    21.3964  -16.5550
            15  O1a O    20.1831  -14.4491
            16  C8x C    28.6769  -16.5317
            17  C8x C    29.8845  -14.4433
            18  C8y C    29.8845  -15.8375
            19  O1a O    31.0920  -16.5317
BOND        20
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     3   6 1
            6     3   7 1 #Down
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Up
            10    6  11 1 #Up
            11    8  12 2
            12    8  13 1
            13    9  14 1 #Down
            14   10  15 1
            15   12  16 1
            16   13  17 2
            17   16  18 2
            18   18  19 1
            19    6   9 1
            20   17  18 1

» Japanese version

KEGG   COMPOUND: C01451Help
Entry
C01451                      Compound                               

Name
Salicin;
Salicoside
Formula
C13H18O7
Exact mass
286.1053
Mol weight
286.2778
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00010  Glycolysis / Gluconeogenesis
map01061  Biosynthesis of phenylpropanoids
map02060  Phosphotransferase system (PTS)
map04742  Taste transduction
Enzyme
2.4.1.172       2.7.1.-
Brite
Major components of natural products [BR:br08323]
 Medicinal herbs
  Willow
   C01451  Salicin
BRITE hierarchy
Other DBs
CAS: 138-52-3
PubChem: 4628
ChEBI: 17814
ChEMBL: CHEMBL462997
KNApSAcK: C00002672
PDB-CCD: SA0[PDBj]
3DMET: B01452
NIKKAJI: J5.634K
KCF data Show

ATOM        20
            1   C1y C    26.4889  -20.2357
            2   O2a O    27.6968  -19.5297
            3   O2x O    25.2753  -19.5297
            4   C1y C    26.4889  -21.6362
            5   C8y C    28.9107  -20.2240
            6   C1y C    24.0557  -20.2357
            7   C1y C    25.2753  -22.3364
            8   O1a O    27.6968  -22.3364
            9   C8y C    30.1243  -19.5238
            10  C8x C    28.9107  -21.6186
            11  C1y C    24.0557  -21.6362
            12  C1b C    22.8420  -19.5297
            13  O1a O    25.2753  -23.7426
            14  C8x C    31.3265  -20.2240
            15  C1b C    30.1243  -18.1292
            16  C8x C    30.1243  -22.3131
            17  O1a O    22.8420  -22.3364
            18  O1a O    21.6224  -20.2357
            19  C8x C    31.3265  -21.6186
            20  O1a O    31.3380  -17.4290
BOND        21
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 1 #Down
            8     5   9 1
            9     5  10 2
            10    6  11 1
            11    6  12 1 #Up
            12    7  13 1 #Up
            13    9  14 2
            14    9  15 1
            15   10  16 1
            16   11  17 1 #Down
            17   12  18 1
            18   14  19 1
            19   15  20 1
            20    7  11 1
            21   16  19 2

» Japanese version

KEGG   COMPOUND: C00185Help
Entry
C00185                      Compound                               

Name
Cellobiose;
1-beta-D-Glucopyranosyl-4-D-glucopyranose
Formula
C12H22O11
Exact mass
342.1162
Mol weight
342.2965
Structure
Mol fileKCF fileDB search
Remark
Same as: G00289
Reaction
Pathway
map00500  Starch and sucrose metabolism
map01100  Metabolic pathways
map02010  ABC transporters
map02060  Phosphotransferase system (PTS)
Enzyme
1.1.99.18       2.4.1.20        2.7.1.85        2.7.1.205       
3.2.1.4         3.2.1.21        3.2.1.74        3.2.1.91        
5.1.3.11
Brite
Compounds with biological roles [BR:br08001]
 Carbohydrates
  Oligosaccharides
   Disaccharides
    C00185  Cellobiose
BRITE hierarchy
Other DBs
CAS: 16462-44-5
PubChem: 3485
ChEBI: 17057
ChEMBL: CHEMBL1231670 CHEMBL1614877
PDB-CCD: CBI[PDBj] CBK[PDBj]
3DMET: B04644
NIKKAJI: J6.676A
KCF data Show

ATOM        23
            1   C1y C    27.3529  -14.4315
            2   C1y C    27.3529  -13.0311
            3   O2a O    26.1393  -15.1258
            4   C1y C    28.5548  -15.1258
            5   O2x O    28.5548  -12.3250
            6   C1b C    26.1393  -12.3250
            7   C1y C    24.9198  -15.8319
            8   C1y C    29.7742  -14.4315
            9   O1a O    28.5548  -16.5261
            10  C1y C    29.7742  -13.0311
            11  O1a O    25.0714  -13.2354
            12  O2x O    23.7003  -15.1317
            13  C1y C    24.9198  -17.2321
            14  O1a O    30.9821  -15.1258
            15  O1a O    30.9821  -12.3250
            16  C1y C    22.4925  -15.8376
            17  C1y C    23.7003  -17.9323
            18  O1a O    26.1334  -17.9323
            19  C1y C    22.4925  -17.2321
            20  C1b C    21.2847  -15.1317
            21  O1a O    23.7061  -19.3326
            22  O1a O    21.2847  -17.9323
            23  O1a O    20.2170  -16.0359
BOND        24
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     7   3 1 #Up
            7     4   8 1
            8     4   9 1 #Up
            9     5  10 1
            10    6  11 1
            11    7  12 1
            12    7  13 1
            13    8  14 1 #Down
            14   10  15 1 #Either
            15   12  16 1
            16   13  17 1
            17   13  18 1 #Down
            18   16  19 1
            19   16  20 1 #Up
            20   17  21 1 #Up
            21   19  22 1 #Down
            22   20  23 1
            23    8  10 1
            24   17  19 1

» Japanese version

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