MiMeDB: Showing metabocard for Uridine diphosphate glucose (MMDBc0047906)

Microbial

Plant

Animal

Pharmaceutical

Xenobiotic

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-11-23 23:14:18 UTC

Update Date

2024-10-11 01:49:37 UTC

Metabolite ID

MMDBc0047906

Metabolite Identification

Common Name

Uridine diphosphate glucose

Description

Uridine diphosphate glucose, also known as UDP-glucose or UDP-alpha-D-glucose, belongs to the class of organic compounds known as pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group. Uridine diphosphate glucose exists in all living species, ranging from bacteria to plants to humans. Uridine diphosphate glucose is a key intermediate in carbohydrate metabolism. For instance, UDP-glucose is a precursor of glycogen and can be converted into UDP-galactose and UDP-glucuronic acid, which can then be used as substrates by the enzymes that make polysaccharides containing galactose and glucuronic acid. UDP-glucose can also be used as a precursor for the biosynthesis of sucrose, lipopolysaccharides and glycosphingolipids. Within humans, uridine diphosphate glucose participates in a number of enzymatic reactions. In particular, ceramide (D18:1/18:0) and uridine diphosphate glucose can be converted into glucosylceramide (D18:1/18:0) and uridine 5'-diphosphate through the action of the enzyme ceramide glucosyltransferase. In addition, glucosylceramide (D18:1/18:0) and uridine diphosphate glucose can be biosynthesized from lactosylceramide (D18:1/18:0) and uridine 5'-diphosphate through its interaction with the enzyme Beta-1,4-galactosyltransferase 6.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv1652309032023592D          

 36 38  0  0  1  0            999 V2000
   24.0281  -10.2408    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   24.8185   -9.9831    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.3852   -9.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.7874  -11.0485    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   25.4371  -10.5329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9904   -9.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7150  -10.2614    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.9590  -11.0485    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   24.2721  -11.7119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.2241  -10.2719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.2722  -11.3372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.7671   -8.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9280  -10.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4710  -11.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3925   -9.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3439  -10.5812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.1762   -9.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5223  -10.5812    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   19.7009  -10.5812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5190  -11.4026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5190   -9.7597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8796  -10.5778    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   18.8726  -11.3991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8726   -9.7529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0548  -10.5778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3402  -10.9903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.3402  -11.8153    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.0548  -12.2278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9113  -11.8153    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.1968  -12.2278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6258  -12.2278    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.9113  -10.9903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.1968  -10.5778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4822  -10.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6258  -10.5778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6258  -13.0528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  1  0  0  0
  7  8  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 22 24  2  0  0  0  0
 26 25  1  6  0  0  0
 27 26  1  0  0  0  0
 35 26  1  0  0  0  0
 35 32  1  0  0  0  0
 32 29  1  0  0  0  0
 29 31  1  0  0  0  0
 31 27  1  0  0  0  0
 27 28  1  6  0  0  0
 29 30  1  6  0  0  0
 31 36  1  1  0  0  0
 32 33  1  1  0  0  0
 33 34  1  0  0  0  0
M  END

HMDB0000286
     RDKit          3D
Uridine diphosphate glucose
 60 62  0  0  0  0  0  0  0  0999 V2000
   -7.7910    4.1328   -0.3775 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2085    3.0252   -0.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1150    2.7198   -1.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5015    1.5049   -0.9333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9596    0.6121   -0.0700 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3747   -0.6664    0.1098 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0065   -0.6418    0.3719 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7371   -2.0222    0.4496 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2595   -2.2152    0.4371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7264   -1.5463    1.5401 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0513   -1.6935    1.6332 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.3113   -3.1098    1.2380 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4503   -1.4828    3.2342 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6451   -0.5882    0.5927 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3154   -0.4620    0.8068 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.8361   -1.8910    0.9834 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7302    0.4258    2.1596 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9889    0.1613   -0.6133 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2912    0.6141   -0.3777 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1394   -0.1345   -1.1910 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4739    0.1033   -0.9394 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9850   -0.9228    0.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8243   -2.1748   -0.4953 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7586    1.5110   -0.4795 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0597    1.8287   -0.8772 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7680    2.4305   -1.1654 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0787    3.7605   -1.0097 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3803    2.0846   -0.6650 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4075    2.5098   -1.5745 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4633   -2.6618   -0.6847 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.2586   -3.7002   -0.2121 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4204   -1.5452   -1.1241 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.7017   -2.0490   -1.3287 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0407    0.9379    0.6776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4909    0.0909    1.5099 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6698    2.1139    0.5897 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7496    3.4486   -1.7526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6275    1.2395   -1.5367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8454   -1.2390    0.9251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1451   -2.3452    1.4422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8473   -1.7912   -0.5221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9507   -3.2589    0.4840 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8467   -0.6032    3.4036 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1509   -0.1553    2.8680 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5299    0.4381    0.6920 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0547   -0.0618   -1.8815 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0245   -0.7042    0.3176 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3480   -0.8309    0.9564 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1376   -2.8968    0.1045 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6396    1.6276    0.6183 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0693    2.3719   -1.6934 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8128    2.1555   -2.2582 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0216    3.9207   -0.7111 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1973    2.6304    0.2835 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1710    1.7110   -2.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8137   -2.9838   -1.5140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1095   -3.3759    0.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9994   -1.0554   -2.0148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0719   -1.6232   -2.1417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5110    2.3218    1.1956 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
  8 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
  5 34  1  0
 34 35  2  0
 34 36  1  0
 36  2  1  0
 32  6  1  0
 28 19  1  0
  3 37  1  0
  4 38  1  0
  6 39  1  1
  8 40  1  1
  9 41  1  0
  9 42  1  0
 13 43  1  0
 17 44  1  0
 19 45  1  1
 21 46  1  6
 22 47  1  0
 22 48  1  0
 23 49  1  0
 24 50  1  1
 25 51  1  0
 26 52  1  6
 27 53  1  0
 28 54  1  1
 29 55  1  0
 30 56  1  6
 31 57  1  0
 32 58  1  6
 33 59  1  0
 36 60  1  0
M  END


  Mrv1652309032023592D          

 36 38  0  0  1  0            999 V2000
   24.0281  -10.2408    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   24.8185   -9.9831    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.3852   -9.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.7874  -11.0485    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   25.4371  -10.5329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9904   -9.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7150  -10.2614    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.9590  -11.0485    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   24.2721  -11.7119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.2241  -10.2719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.2722  -11.3372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.7671   -8.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9280  -10.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4710  -11.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3925   -9.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3439  -10.5812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.1762   -9.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5223  -10.5812    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   19.7009  -10.5812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5190  -11.4026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5190   -9.7597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8796  -10.5778    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   18.8726  -11.3991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8726   -9.7529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0548  -10.5778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3402  -10.9903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.3402  -11.8153    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.0548  -12.2278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9113  -11.8153    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.1968  -12.2278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6258  -12.2278    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.9113  -10.9903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.1968  -10.5778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4822  -10.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6258  -10.5778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6258  -13.0528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  1  0  0  0
  7  8  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 22 24  2  0  0  0  0
 26 25  1  6  0  0  0
 27 26  1  0  0  0  0
 35 26  1  0  0  0  0
 35 32  1  0  0  0  0
 32 29  1  0  0  0  0
 29 31  1  0  0  0  0
 31 27  1  0  0  0  0
 27 28  1  6  0  0  0
 29 30  1  6  0  0  0
 31 36  1  1  0  0  0
 32 33  1  1  0  0  0
 33 34  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0047906

> <DATABASE_NAME>
MIME

> <SMILES>
OC[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@H](O)[C@@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1

> <INCHI_KEY>
HSCJRCZFDFQWRP-JZMIEXBBSA-N

> <FORMULA>
C15H24N2O17P2

> <MOLECULAR_WEIGHT>
566.3018

> <EXACT_MASS>
566.055020376

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
60

> <JCHEM_AVERAGE_POLARIZABILITY>
45.39041999146114

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[({[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphinic acid

> <ALOGPS_LOGP>
-1.43

> <JCHEM_LOGP>
-4.996608078666667

> <ALOGPS_LOGS>
-1.58

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.176325128018932

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7326003066859688

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6484093801081894

> <JCHEM_POLAR_SURFACE_AREA>
291.53999999999996

> <JCHEM_REFRACTIVITY>
106.45579999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.50e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
udp-α-D-glucose

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0000286
     RDKit          3D
Uridine diphosphate glucose
 60 62  0  0  0  0  0  0  0  0999 V2000
   -7.7910    4.1328   -0.3775 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2085    3.0252   -0.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1150    2.7198   -1.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5015    1.5049   -0.9333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9596    0.6121   -0.0700 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3747   -0.6664    0.1098 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0065   -0.6418    0.3719 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7371   -2.0222    0.4496 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2595   -2.2152    0.4371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7264   -1.5463    1.5401 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0513   -1.6935    1.6332 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.3113   -3.1098    1.2380 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4503   -1.4828    3.2342 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6451   -0.5882    0.5927 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3154   -0.4620    0.8068 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.8361   -1.8910    0.9834 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7302    0.4258    2.1596 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9889    0.1613   -0.6133 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2912    0.6141   -0.3777 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1394   -0.1345   -1.1910 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4739    0.1033   -0.9394 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9850   -0.9228    0.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8243   -2.1748   -0.4953 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7586    1.5110   -0.4795 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0597    1.8287   -0.8772 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7680    2.4305   -1.1654 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0787    3.7605   -1.0097 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3803    2.0846   -0.6650 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4075    2.5098   -1.5745 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4633   -2.6618   -0.6847 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.2586   -3.7002   -0.2121 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4204   -1.5452   -1.1241 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.7017   -2.0490   -1.3287 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0407    0.9379    0.6776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4909    0.0909    1.5099 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6698    2.1139    0.5897 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7496    3.4486   -1.7526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6275    1.2395   -1.5367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8454   -1.2390    0.9251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1451   -2.3452    1.4422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8473   -1.7912   -0.5221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9507   -3.2589    0.4840 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8467   -0.6032    3.4036 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1509   -0.1553    2.8680 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5299    0.4381    0.6920 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0547   -0.0618   -1.8815 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0245   -0.7042    0.3176 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3480   -0.8309    0.9564 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1376   -2.8968    0.1045 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6396    1.6276    0.6183 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0693    2.3719   -1.6934 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8128    2.1555   -2.2582 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0216    3.9207   -0.7111 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1973    2.6304    0.2835 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1710    1.7110   -2.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8137   -2.9838   -1.5140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1095   -3.3759    0.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9994   -1.0554   -2.0148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0719   -1.6232   -2.1417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5110    2.3218    1.1956 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
  8 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
  5 34  1  0
 34 35  2  0
 34 36  1  0
 36  2  1  0
 32  6  1  0
 28 19  1  0
  3 37  1  0
  4 38  1  0
  6 39  1  1
  8 40  1  1
  9 41  1  0
  9 42  1  0
 13 43  1  0
 17 44  1  0
 19 45  1  1
 21 46  1  6
 22 47  1  0
 22 48  1  0
 23 49  1  0
 24 50  1  1
 25 51  1  0
 26 52  1  6
 27 53  1  0
 28 54  1  1
 29 55  1  0
 30 56  1  6
 31 57  1  0
 32 58  1  6
 33 59  1  0
 36 60  1  0
M  END

HEADER    PROTEIN                                 03-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-20         0                                  
HETATM    1  C   UNK     0      44.852 -19.116   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0      46.328 -18.635   0.000  0.00  0.00           N+0
HETATM    3  O   UNK     0      43.652 -18.237   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      44.403 -20.624   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      47.483 -19.661   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      46.649 -17.128   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      42.401 -19.155   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      42.857 -20.624   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      45.308 -21.862   0.000  0.00  0.00           O+0
HETATM   10  N   UNK     0      48.952 -19.174   0.000  0.00  0.00           N+0
HETATM   11  O   UNK     0      47.175 -21.163   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      48.099 -16.633   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      40.932 -18.680   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      41.946 -21.855   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      49.266 -17.666   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      39.842 -19.752   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      50.729 -17.185   0.000  0.00  0.00           O+0
HETATM   18  P   UNK     0      38.308 -19.752   0.000  0.00  0.00           P+0
HETATM   19  O   UNK     0      36.775 -19.752   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      38.302 -21.285   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      38.302 -18.218   0.000  0.00  0.00           O+0
HETATM   22  P   UNK     0      35.242 -19.745   0.000  0.00  0.00           P+0
HETATM   23  O   UNK     0      35.229 -21.278   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      35.229 -18.205   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      33.702 -19.745   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      32.368 -20.515   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      32.368 -22.055   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      33.702 -22.825   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      29.701 -22.055   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      28.367 -22.825   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      31.035 -22.825   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      29.701 -20.515   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      28.367 -19.745   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      27.033 -20.515   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      31.035 -19.745   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      31.035 -24.365   0.000  0.00  0.00           O+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5    6                                                  
CONECT    3    1    7                                                       
CONECT    4    1    8    9                                                  
CONECT    5    2   10   11                                                  
CONECT    6    2   12                                                       
CONECT    7    3   13    8                                                  
CONECT    8    4    7   14                                                  
CONECT    9    4                                                            
CONECT   10    5   15                                                       
CONECT   11    5                                                            
CONECT   12    6   15                                                       
CONECT   13    7   16                                                       
CONECT   14    8                                                            
CONECT   15   10   12   17                                                  
CONECT   16   13   18                                                       
CONECT   17   15                                                            
CONECT   18   16   19   20   21                                             
CONECT   19   18   22                                                       
CONECT   20   18                                                            
CONECT   21   18                                                            
CONECT   22   19   23   25   24                                             
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25   22   26                                                       
CONECT   26   25   27   35                                                  
CONECT   27   26   31   28                                                  
CONECT   28   27                                                            
CONECT   29   32   31   30                                                  
CONECT   30   29                                                            
CONECT   31   29   27   36                                                  
CONECT   32   35   29   33                                                  
CONECT   33   32   34                                                       
CONECT   34   33                                                            
CONECT   35   26   32                                                       
CONECT   36   31                                                            
MASTER        0    0    0    0    0    0    0    0   36    0   76    0
END

COMPND    HMDB0000286
HETATM    1  O1  UNL     1      -7.791   4.133  -0.378  1.00  0.00           O  
HETATM    2  C1  UNL     1      -7.208   3.025  -0.286  1.00  0.00           C  
HETATM    3  C2  UNL     1      -6.115   2.720  -1.055  1.00  0.00           C  
HETATM    4  C3  UNL     1      -5.501   1.505  -0.933  1.00  0.00           C  
HETATM    5  N1  UNL     1      -5.960   0.612  -0.070  1.00  0.00           N  
HETATM    6  C4  UNL     1      -5.375  -0.666   0.110  1.00  0.00           C  
HETATM    7  O2  UNL     1      -4.007  -0.642   0.372  1.00  0.00           O  
HETATM    8  C5  UNL     1      -3.737  -2.022   0.450  1.00  0.00           C  
HETATM    9  C6  UNL     1      -2.259  -2.215   0.437  1.00  0.00           C  
HETATM   10  O3  UNL     1      -1.726  -1.546   1.540  1.00  0.00           O  
HETATM   11  P1  UNL     1      -0.051  -1.694   1.633  1.00  0.00           P  
HETATM   12  O4  UNL     1       0.311  -3.110   1.238  1.00  0.00           O  
HETATM   13  O5  UNL     1       0.450  -1.483   3.234  1.00  0.00           O  
HETATM   14  O6  UNL     1       0.645  -0.588   0.593  1.00  0.00           O  
HETATM   15  P2  UNL     1       2.315  -0.462   0.807  1.00  0.00           P  
HETATM   16  O7  UNL     1       2.836  -1.891   0.983  1.00  0.00           O  
HETATM   17  O8  UNL     1       2.730   0.426   2.160  1.00  0.00           O  
HETATM   18  O9  UNL     1       2.989   0.161  -0.613  1.00  0.00           O  
HETATM   19  C7  UNL     1       4.291   0.614  -0.378  1.00  0.00           C  
HETATM   20  O10 UNL     1       5.139  -0.134  -1.191  1.00  0.00           O  
HETATM   21  C8  UNL     1       6.474   0.103  -0.939  1.00  0.00           C  
HETATM   22  C9  UNL     1       6.985  -0.923   0.050  1.00  0.00           C  
HETATM   23  O11 UNL     1       6.824  -2.175  -0.495  1.00  0.00           O  
HETATM   24  C10 UNL     1       6.759   1.511  -0.479  1.00  0.00           C  
HETATM   25  O12 UNL     1       8.060   1.829  -0.877  1.00  0.00           O  
HETATM   26  C11 UNL     1       5.768   2.431  -1.165  1.00  0.00           C  
HETATM   27  O13 UNL     1       6.079   3.761  -1.010  1.00  0.00           O  
HETATM   28  C12 UNL     1       4.380   2.085  -0.665  1.00  0.00           C  
HETATM   29  O14 UNL     1       3.407   2.510  -1.575  1.00  0.00           O  
HETATM   30  C13 UNL     1      -4.463  -2.662  -0.685  1.00  0.00           C  
HETATM   31  O15 UNL     1      -5.259  -3.700  -0.212  1.00  0.00           O  
HETATM   32  C14 UNL     1      -5.420  -1.545  -1.124  1.00  0.00           C  
HETATM   33  O16 UNL     1      -6.702  -2.049  -1.329  1.00  0.00           O  
HETATM   34  C15 UNL     1      -7.041   0.938   0.678  1.00  0.00           C  
HETATM   35  O17 UNL     1      -7.491   0.091   1.510  1.00  0.00           O  
HETATM   36  N2  UNL     1      -7.670   2.114   0.590  1.00  0.00           N  
HETATM   37  H1  UNL     1      -5.750   3.449  -1.753  1.00  0.00           H  
HETATM   38  H2  UNL     1      -4.627   1.240  -1.537  1.00  0.00           H  
HETATM   39  H3  UNL     1      -5.845  -1.239   0.925  1.00  0.00           H  
HETATM   40  H4  UNL     1      -4.145  -2.345   1.442  1.00  0.00           H  
HETATM   41  H5  UNL     1      -1.847  -1.791  -0.522  1.00  0.00           H  
HETATM   42  H6  UNL     1      -1.951  -3.259   0.484  1.00  0.00           H  
HETATM   43  H7  UNL     1       0.847  -0.603   3.404  1.00  0.00           H  
HETATM   44  H8  UNL     1       3.151  -0.155   2.868  1.00  0.00           H  
HETATM   45  H9  UNL     1       4.530   0.438   0.692  1.00  0.00           H  
HETATM   46  H10 UNL     1       7.055  -0.062  -1.881  1.00  0.00           H  
HETATM   47  H11 UNL     1       8.024  -0.704   0.318  1.00  0.00           H  
HETATM   48  H12 UNL     1       6.348  -0.831   0.956  1.00  0.00           H  
HETATM   49  H13 UNL     1       7.138  -2.897   0.105  1.00  0.00           H  
HETATM   50  H14 UNL     1       6.640   1.628   0.618  1.00  0.00           H  
HETATM   51  H15 UNL     1       8.069   2.372  -1.693  1.00  0.00           H  
HETATM   52  H16 UNL     1       5.813   2.156  -2.258  1.00  0.00           H  
HETATM   53  H17 UNL     1       7.022   3.921  -0.711  1.00  0.00           H  
HETATM   54  H18 UNL     1       4.197   2.630   0.284  1.00  0.00           H  
HETATM   55  H19 UNL     1       3.171   1.711  -2.138  1.00  0.00           H  
HETATM   56  H20 UNL     1      -3.814  -2.984  -1.514  1.00  0.00           H  
HETATM   57  H21 UNL     1      -6.110  -3.376   0.178  1.00  0.00           H  
HETATM   58  H22 UNL     1      -4.999  -1.055  -2.015  1.00  0.00           H  
HETATM   59  H23 UNL     1      -7.072  -1.623  -2.142  1.00  0.00           H  
HETATM   60  H24 UNL     1      -8.511   2.322   1.196  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   36
CONECT    3    4    4   37
CONECT    4    5   38
CONECT    5    6   34
CONECT    6    7   32   39
CONECT    7    8
CONECT    8    9   30   40
CONECT    9   10   41   42
CONECT   10   11
CONECT   11   12   12   13   14
CONECT   13   43
CONECT   14   15
CONECT   15   16   16   17   18
CONECT   17   44
CONECT   18   19
CONECT   19   20   28   45
CONECT   20   21
CONECT   21   22   24   46
CONECT   22   23   47   48
CONECT   23   49
CONECT   24   25   26   50
CONECT   25   51
CONECT   26   27   28   52
CONECT   27   53
CONECT   28   29   54
CONECT   29   55
CONECT   30   31   32   56
CONECT   31   57
CONECT   32   33   58
CONECT   33   59
CONECT   34   35   35   36
CONECT   36   60
END

HMDB0000286
     RDKit          3D
Uridine diphosphate glucose
 60 62  0  0  0  0  0  0  0  0999 V2000
   -7.7910    4.1328   -0.3775 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2085    3.0252   -0.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1150    2.7198   -1.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5015    1.5049   -0.9333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9596    0.6121   -0.0700 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3747   -0.6664    0.1098 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0065   -0.6418    0.3719 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7371   -2.0222    0.4496 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2595   -2.2152    0.4371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7264   -1.5463    1.5401 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0513   -1.6935    1.6332 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.3113   -3.1098    1.2380 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4503   -1.4828    3.2342 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6451   -0.5882    0.5927 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3154   -0.4620    0.8068 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.8361   -1.8910    0.9834 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7302    0.4258    2.1596 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9889    0.1613   -0.6133 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2912    0.6141   -0.3777 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1394   -0.1345   -1.1910 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4739    0.1033   -0.9394 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9850   -0.9228    0.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8243   -2.1748   -0.4953 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7586    1.5110   -0.4795 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0597    1.8287   -0.8772 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7680    2.4305   -1.1654 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0787    3.7605   -1.0097 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3803    2.0846   -0.6650 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4075    2.5098   -1.5745 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4633   -2.6618   -0.6847 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.2586   -3.7002   -0.2121 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4204   -1.5452   -1.1241 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.7017   -2.0490   -1.3287 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0407    0.9379    0.6776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4909    0.0909    1.5099 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6698    2.1139    0.5897 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7496    3.4486   -1.7526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6275    1.2395   -1.5367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8454   -1.2390    0.9251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1451   -2.3452    1.4422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8473   -1.7912   -0.5221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9507   -3.2589    0.4840 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8467   -0.6032    3.4036 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1509   -0.1553    2.8680 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5299    0.4381    0.6920 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0547   -0.0618   -1.8815 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0245   -0.7042    0.3176 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3480   -0.8309    0.9564 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1376   -2.8968    0.1045 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6396    1.6276    0.6183 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0693    2.3719   -1.6934 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8128    2.1555   -2.2582 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0216    3.9207   -0.7111 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1973    2.6304    0.2835 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1710    1.7110   -2.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8137   -2.9838   -1.5140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1095   -3.3759    0.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9994   -1.0554   -2.0148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0719   -1.6232   -2.1417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5110    2.3218    1.1956 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
  8 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
  5 34  1  0
 34 35  2  0
 34 36  1  0
 36  2  1  0
 32  6  1  0
 28 19  1  0
  3 37  1  0
  4 38  1  0
  6 39  1  1
  8 40  1  1
  9 41  1  0
  9 42  1  0
 13 43  1  0
 17 44  1  0
 19 45  1  1
 21 46  1  6
 22 47  1  0
 22 48  1  0
 23 49  1  0
 24 50  1  1
 25 51  1  0
 26 52  1  6
 27 53  1  0
 28 54  1  1
 29 55  1  0
 30 56  1  6
 31 57  1  0
 32 58  1  6
 33 59  1  0
 36 60  1  0
M  END

Synonyms

Value	Source
GLUCOSE-uridine-C1,5'-diphosphATE	ChEBI
UDP-D-Glucose	ChEBI
UDPglucose	ChEBI
URIDINE-5'-diphosphATE-glucose	ChEBI
UDP-alpha-D-Glucose	Kegg
GLUCOSE-uridine-C1,5'-diphosphoric acid	Generator
URIDINE-5'-diphosphoric acid-glucose	Generator
UDP-a-D-Glucose	Generator
UDP-Α-D-glucose	Generator
Uridine diphosphoric acid glucose	Generator
Diphosphate glucose, uridine	HMDB
Diphosphoglucose, uridine	HMDB
Glucose, UDP	HMDB
Glucose, uridine diphosphate	HMDB
UDP Glucose	HMDB
UDPG	HMDB
Uridine diphosphoglucose	HMDB
UDP-GLC	HMDB
UDP-Glucose	HMDB
Uridine 5'-(alpha-D-glucopyranosyl pyrophosphate)	HMDB
Uridine 5'-(α-D-glucopyranosyl pyrophosphate)	HMDB
Uridine 5'-diphosphate glucose	HMDB
Uridine 5'-diphospho-alpha-D-glucose	HMDB
Uridine 5'-diphospho-α-D-glucose	HMDB
Uridine 5'-diphosphoglucose	HMDB
Uridine 5’-(α-D-glucopyranosyl pyrophosphate)	HMDB
Uridine 5’-diphosphate glucose	HMDB
Uridine 5’-diphospho-α-D-glucose	HMDB
Uridine 5’-diphosphoglucose	HMDB
Uridine diphospho-D-glucose	HMDB
Uridine pyrophosphate-glucose	HMDB
Uridine diphosphate glucose	ChEBI

Molecular Formula

C₁₅H₂₄N₂O₁₇P₂

Average Mass

566.3018

Monoisotopic Mass

566.055020376

IUPAC Name

[({[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphinic acid

Traditional Name

udp-α-D-glucose

CAS Registry Number

133-89-1

SMILES

OC[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@H](O)[C@@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1

InChI Key

HSCJRCZFDFQWRP-JZMIEXBBSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Pyrimidine nucleotides

Sub Class

Pyrimidine nucleotide sugars

Direct Parent

Pyrimidine nucleotide sugars

Alternative Parents

Substituents

Pyrimidine nucleotide sugar
Pyrimidine ribonucleoside diphosphate
Pentose phosphate
Pentose-5-phosphate
Glycosyl compound
N-glycosyl compound
Monosaccharide phosphate
Organic pyrophosphate
Pyrimidone
Monoalkyl phosphate
Hydropyrimidine
Monosaccharide
Organic phosphoric acid derivative
Oxane
Phosphoric acid ester
Pyrimidine
Alkyl phosphate
Heteroaromatic compound
Vinylogous amide
Tetrahydrofuran
Urea
Secondary alcohol
Lactam
Polyol
Oxacycle
Organoheterocyclic compound
Azacycle
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Primary alcohol
Alcohol
Organonitrogen compound
Organooxygen compound
Organic oxygen compound
Organopnictogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

UDP-D-glucose (CHEBI:46229 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	15 g/L	ALOGPS
logP	-1.4	ALOGPS
logP	-5	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Acidic)	1.73	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	291.54 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	106.46 m³·mol⁻¹	ChemAxon
Polarizability	45.39 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-054k-3933570000-89f658b2d26ff158d84c	2017-09-20	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive	splash10-0fk9-4942706000-3a83736296429f83adee	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS ("Uridine diphosphate glucose,1TMS,#1" TMS) - 70eV, Positive	Not Available	2021-10-14	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 10V, Negative (Annotated)	splash10-014i-0000090000-1692ab5f5dad1cf7e436	2019-05-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Negative (Annotated)	splash10-015a-0439510000-69e7cd4c2c365a24706b	2019-05-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Negative (Annotated)	splash10-0109-5753970000-03f34041208ba93ef87a	2019-05-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 35V, Negative	splash10-00fr-9257000000-73b85a465d99ce92467d	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 40V, Negative	splash10-00ba-9333000000-b57dc1340555f1a997b4	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 35V, Negative	splash10-00fr-9257000000-ba1e6c754b8f04d5b659	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 35V, Positive	splash10-0002-9000000000-9bd63595c19dbe18d143	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Negative	splash10-00di-0009000000-4b94aa10fd96d2d9c505	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 20V, Negative	splash10-00di-0009000000-996cd4acdaa34c877460	2021-09-20	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03di-0901110000-4b81825405869909992e	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03di-3911000000-6fd09254750e77963110	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-03di-5900000000-03a2a98eb0aa84737530	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-03di-4901260000-8396a090c14de7f2d708	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-01ox-8907020000-94410556a0288cb8167b	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-06tf-5901000000-10132c85ad33464d4eef	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-00kr-0000960000-6404d8d944e1ae6f30e2	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-07e1-2322960000-6af539ce21752f9023ba	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-08fr-9732000000-b0c81adc41b1d799e1e8	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-014i-0000090000-8cab8f2bc0fb9e9e8ba9	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-057j-9203870000-d60681ff91f741bdb867	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-001i-3519000000-67ca2f9355ef7f94a47d	2021-09-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125 MHz, H₂O, experimental)		2019-05-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)		2019-05-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-16	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)		2019-05-22	View Spectrum

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Biological Properties

Cellular Locations

Endoplasmic reticulum
Golgi apparatus

Biospecimen Locations

Blood
Feces
Liver
Skeletal Muscle
Urine

Tissue Locations

Liver
Skeletal Muscle

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0191790	Ectonucleotide pyrophosphatase/phosphodiesterase family member 1	Unknown	P22413	Homo sapiens
MMDBp0191865	Ectonucleotide pyrophosphatase/phosphodiesterase family member 3	Unknown	O14638	Homo sapiens
MMDBp0191960	Sucrase-isomaltase, intestinal	Enzyme	P14410	Homo sapiens
MMDBp0192041	Trehalase	Enzyme	O43280	Homo sapiens
MMDBp0192121	Procollagen-lysine,2-oxoglutarate 5-dioxygenase 3	Unknown	O60568	Homo sapiens
MMDBp0192465	Ceramide glucosyltransferase	Enzyme	Q16739	Homo sapiens
MMDBp0192522	UDP-glucose 4-epimerase	Unknown	Q14376	Homo sapiens
MMDBp0192525	UDP-glucose 6-dehydrogenase	Unknown	O60701	Homo sapiens
MMDBp0192593	Dolichyl-phosphate beta-glucosyltransferase	Enzyme	Q9Y673	Homo sapiens
MMDBp0192680	UTP--glucose-1-phosphate uridylyltransferase	Enzyme	Q16851	Homo sapiens
MMDBp0192697	Glycogen [starch] synthase, liver	Enzyme	P54840	Homo sapiens
MMDBp0192698	Galactose-1-phosphate uridylyltransferase	Unknown	P07902	Homo sapiens
MMDBp0192699	Glycogenin-1	Unknown	P46976	Homo sapiens
MMDBp0192700	Glycogen [starch] synthase, muscle	Enzyme	P13807	Homo sapiens
MMDBp0192701	Glycogenin-2	Unknown	O15488	Homo sapiens
MMDBp0192703	Uridine diphosphate glucose pyrophosphatase	Unknown	O95848	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0018322	Uridine triphosphate	Uridine diphosphate glucose	UTP--glucose-1-phosphate uridylyltransferase	Transfer of an uridylyl group	PathBank	31602464
MMDBr0018390	(heptosyl)2-Kdo2-lipid A	Uridine 5'-diphosphate	Lipopolysaccharide core biosynthesis protein rfaG	Synthesis	PathBank	31602464
MMDBr0018395	Uridine diphosphate glucose	Uridine 5'-diphosphate	Lipopolysaccharide 1,3-galactosyltransferase	Transfer of a galactosyl group	PathBank	31602464
MMDBr0018396	galactosyl-(glucosyl)2-(heptosyl)3-Kdo2-lipid A-bisphosphate	Uridine 5'-diphosphate	Lipopolysaccharide 1,2-glucosyltransferase	Transfer of a glucosyl group	PathBank	31602464
MMDBr0018431	Galactose 1-phosphate	Uridine diphosphategalactose	Galactose-1-phosphate uridylyltransferase	Transfer of an uridylyl group	PathBank	31602464
MMDBr0018472	Glucose 1-phosphate	Galactose 1-phosphate	Galactose-1-phosphate uridylyltransferase	Transfer of an uridylyl group	PathBank	31602464
MMDBr0018473	Uridine diphosphate glucose	UDP-Glucuronic acid	UDP-glucose 6-dehydrogenase	Dehydrogenation	PathBank	31602464
MMDBr0018600	Glucose 6-phosphate	Uridine 5'-diphosphate	Trehalose-6-phosphate synthase	Synthesis	PathBank	31602464
MMDBr0019490	Galactose 1-phosphate	Uridine diphosphategalactose	Galactose-1-phosphate uridylyltransferase	Transfer of an uridylyl group	PathBank	31602464
MMDBr0019491	Uridine diphosphategalactose	Uridine diphosphate glucose	Bifunctional protein GAL10		PathBank	31602464
MMDBr0019493	Uridine triphosphate	Uridine 5'-diphosphate	UTP--glucose-1-phosphate uridylyltransferase	Transfer of an uridylyl group	PathBank	31602464
MMDBr0019562	Uridine diphosphategalactose	Galactose 1-phosphate	Galactose-1-phosphate uridylyltransferase	Transfer of an uridylyl group	PathBank	31602464
MMDBr0019886	Uridine triphosphate	Uridine diphosphate glucose	Probable UTP--glucose-1-phosphate uridylyltransferase	Transfer of an uridylyl group	PathBank	31602464
MMDBr0019887	Uridine diphosphate glucose	Amylose	Glycogen [starch] synthase isoform 2	Synthesis	PathBank	31602464
MMDBr0019895	Glycogen	Glycogen	Glycogen [starch] synthase isoform 1	Synthesis	PathBank	31602464
MMDBr0019898	Uridine 5'-diphosphate	1,3-beta-D-Glucan	1,3-beta-glucan synthase component FKS1	Synthesis	PathBank	31602464
MMDBr0019899	Glucose 6-phosphate	Uridine 5'-diphosphate	Trehalose-phosphatase	Dephosphorylation	PathBank	31602464

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria/Eubacteria	Firmicutes	424	Human feces; Human pleural fluid plaque; Pig ; Human sputum; Human ; Human subgingival plaque; Human saliva; Human urine; Human mucosa; Human supragingival plaque; Cattle ; Human stool	Metabolic reconstruction
Bacteria/Eubacteria	Proteobacteria	225	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human stool; Human feces; pleural fluid plaque; bal; Human subgingival plaque; American dog tick ; Chicken	Metabolic reconstruction
Bacteria/Eubacteria	Actinobacteria	149	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human ; Human supragingival plaque; Human mucosa; Human subgingival plaque; Human saliva; Cattle	Metabolic reconstruction
Bacteria/Eubacteria	Verrucomicrobia	1	Human ; Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Bacteroidetes	126	Human feces; Human appendix biopsy; Human ; Human stool; Human saliva; Human gastric fluid; Human urine; Human subgingival plaque; Human supragingival plaque	Metabolic reconstruction
Bacteria/Eubacteria	Synergistetes	3	Human feces	Metabolic reconstruction
Bacteria	Firmicutes	2	Human feces; Human pleural fluid plaque; Pig ; Human sputum; Human ; Human subgingival plaque; Human saliva; Human urine; Human mucosa; Human supragingival plaque; Cattle ; Human stool	Metabolic reconstruction
Bacteria/Eubacteria	Spirochaetes	1	Human feces	Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Bacteria/Eubacteria	Fusobacteria	20	Human feces; Human	Metabolic reconstruction
Archaea	Euryarchaeota	5		Metabolic reconstruction
Bacteria/Eubacteria	Candidatus melainabacteria	1	Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Tenericutes	4	Human feces; Human	Metabolic reconstruction
Bacteria/Eubacteria	Planctomycetes	1	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1		Metabolic reconstruction
Bacteria	Synergistetes	1	Human feces	Metabolic reconstruction
Archaea/Archaea	Crenarchaeota	2		Metabolic reconstruction
Eukaryota/Fungi	Basidiomycota	2
Bacteria	Proteobacteria	11	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human stool; Human feces; pleural fluid plaque; bal; Human subgingival plaque; American dog tick ; Chicken	Metabolic reconstruction
Eukaryota/Fungi	Ascomycota	17	Human feces; Human saliva	Unknown
Bacteria/Eubacteria	Thermotogae	3
Eukaryota/Fungi	Microsporidia	1
Archaea/Archaea	nah	1
Archaea/Archaea	Euryarchaeota	2		Metabolic reconstruction
Bacteria	nah	1
Bacteria	Actinobacteria	3	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human ; Human supragingival plaque; Human mucosa; Human subgingival plaque; Human saliva; Cattle	Metabolic reconstruction

Exposure Sources

Other Exposures

Source Type	Data Source	Reference
Drugs - Antimicrobial	U.S. Environmental Protection Agency	CompTox
Cosmetics	U.S. Environmental Protection Agency	CompTox
Domestics	U.S. Environmental Protection Agency	CompTox

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified							HMDB
Human Blood	Detected and Quantified	155.0	113.0	uM	Adult (>18 years old)	Both	Normal	HMDB	7877593
Human Urine	Detected and Quantified	0.993		umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Normal	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Liver	Detected but not Quantified				Not Specified	Not Specified	Normal	HMDB	34986597
Human Skeletal muscle	Detected but not Quantified				Not Specified	Not Specified	Normal	HMDB	34986597
Human Feces	Detected but not Quantified				Adult (>18 years old)	Not Specified	Normal	HMDB	25985090

External Links

HMDB ID

HMDB0000286

DrugBank ID

DB01861

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB005660

KNApSAcK ID

C00001514

Chemspider ID

Not Available

KEGG Compound ID

C00029

BioCyc ID

CPD-12575

BiGG ID

Not Available

Wikipedia Link

Uridine_diphosphate_glucose

METLIN ID

Not Available

PubChem Compound

8629

PDB ID

Not Available

ChEBI ID

46229

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Haugen HF, Skrede S: Nucleotide pyrophosphatase and phosphodiesterase I. Demonstration of activity in normal serum, and an increase in cholestatic liver disease. Scand J Gastroenterol. 1976;11(2):121-7. [PubMed:4880 ]
Schwartz AL, Rall TW: Hormonal regulation of glycogen metabolism in human fetal liver. II. Regulation of glycogen synthase activity. Diabetes. 1975 Dec;24(12):1113-22. doi: 10.2337/diab.24.12.1113. [PubMed:811498 ]
Marschall HU, Matern H, Wietholtz H, Egestad B, Matern S, Sjovall J: Bile acid N-acetylglucosaminidation. In vivo and in vitro evidence for a selective conjugation reaction of 7 beta-hydroxylated bile acids in humans. J Clin Invest. 1992 Jun;89(6):1981-7. doi: 10.1172/JCI115806. [PubMed:1602004 ]
Tarantino G, Morelli L, Califano C: [Uridine diphosphate glucose (UDPG) in the treatment of hepatic disease from chronic alcohol abuse]. Riv Eur Sci Med Farmacol. 1990 Apr;12(2):109-17. [PubMed:2080308 ]
Hers HG: Mechanisms of blood glucose homeostasis. J Inherit Metab Dis. 1990;13(4):395-410. doi: 10.1007/BF01799497. [PubMed:2122108 ]
Ng WG, Xu YK, Kaufman FR, Donnell GN: Deficit of uridine diphosphate galactose in galactosaemia. J Inherit Metab Dis. 1989;12(3):257-66. doi: 10.1007/BF01799215. [PubMed:2515367 ]
Ohdoi C, Nyhan WL, Kuhara T: Chemical diagnosis of Lesch-Nyhan syndrome using gas chromatography-mass spectrometry detection. J Chromatogr B Analyt Technol Biomed Life Sci. 2003 Jul 15;792(1):123-30. doi: 10.1016/s1570-0232(03)00277-0. [PubMed:12829005 ]
Nielsen JN, Richter EA: Regulation of glycogen synthase in skeletal muscle during exercise. Acta Physiol Scand. 2003 Aug;178(4):309-19. doi: 10.1046/j.1365-201X.2003.01165.x. [PubMed:12864735 ]
Raila J, Wirth K, Chen F, Buscher U, Dudenhausen JW, Schweigert FJ: Excretion of vitamin A in urine of women during normal pregnancy and pregnancy complications. Ann Nutr Metab. 2004 Sep-Oct;48(5):357-64. doi: 10.1159/000082003. Epub 2004 Nov 9. [PubMed:15542927 ]
Reynolds TH 4th, Pak Y, Harris TE, Manchester J, Barrett EJ, Lawrence JC Jr: Effects of insulin and transgenic overexpression of UDP-glucose pyrophosphorylase on UDP-glucose and glycogen accumulation in skeletal muscle fibers. J Biol Chem. 2005 Feb 18;280(7):5510-5. doi: 10.1074/jbc.M413614200. Epub 2004 Dec 13. [PubMed:15596435 ]
Thiele I, Swainston N, Fleming RM, Hoppe A, Sahoo S, Aurich MK, Haraldsdottir H, Mo ML, Rolfsson O, Stobbe MD, Thorleifsson SG, Agren R, Bolling C, Bordel S, Chavali AK, Dobson P, Dunn WB, Endler L, Hala D, Hucka M, Hull D, Jameson D, Jamshidi N, Jonsson JJ, Juty N, Keating S, Nookaew I, Le Novere N, Malys N, Mazein A, Papin JA, Price ND, Selkov E Sr, Sigurdsson MI, Simeonidis E, Sonnenschein N, Smallbone K, Sorokin A, van Beek JH, Weichart D, Goryanin I, Nielsen J, Westerhoff HV, Kell DB, Mendes P, Palsson BO: A community-driven global reconstruction of human metabolism. Nat Biotechnol. 2013 May;31(5):419-25. doi: 10.1038/nbt.2488. Epub 2013 Mar 3. [PubMed:23455439 ]

Showing metabocard for Uridine diphosphate glucose (MMDBc0047906)

MOL for #<Metabolite:0x00007fade9408f28>

3D MOL for #<Metabolite:0x00007fade9408f28>

3D SDF for #<Metabolite:0x00007fade9408f28>

3D-SDF for #<Metabolite:0x00007fade9408f28>

PDB for #<Metabolite:0x00007fade9408f28>

3D PDB for #<Metabolite:0x00007fade9408f28>

SMILES for #<Metabolite:0x00007fade9408f28>

INCHI for #<Metabolite:0x00007fade9408f28>

Structure for #<Metabolite:0x00007fade9408f28>

3D Structure for #<Metabolite:0x00007fade9408f28>