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Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2021-09-14 15:44:43 UTC

HMDB ID

HMDB0000757

Secondary Accession Numbers

HMDB00757

Metabolite Identification

Common Name

Glycogen

Description

Glycogen is a highly-branched polymer of about 30,000 glucose residues. The simplest structure of glycogen is made up of four units of glucose with an approximate molecular weight of 666 daltons. However, large molecules of glycogen can reach molecular weights in the order of 5 million Da. Most of the glucose units are linked together by alpha-1,4 glycosidic bonds, and approximately 1 in 12 glucose residues also form a 1,6 glycosidic bond with a second glucose, resulting in the creation of a branch. Glycogen only has one reducing end and a large number of non-reducing ends with a free hydroxyl group at carbon 4. The glycogen granules contain both glycogen and the enzymes of glycogen synthesis (glycogenesis) and degradation (glycogenolysis). The enzymes are nested between the outer branches of the glycogen molecules and act on the non-reducing ends. Therefore, the many non-reducing end-branches of glycogen facilitate its rapid synthesis and breakdown. In hypoglycemia caused by excessive insulin, liver glycogen levels are high, but the high insulin level prevents the necessary glycogenolysis to take place to maintain normal blood sugar levels. Glucagon is a common treatment for this type of hypoglycemia. Glycogen is a polysaccharide that is the principal storage form of glucose (Glc) in animal cells. Glycogen is found in the form of granules in the cytosol in many cell types. Hepatocytes (liver cells) have the highest concentration of it - up to 8% of the fresh weight in well fed state, or 100 to 120 g in an adult - giving liver a distinctive, 'starchy taste'. In the muscles, glycogen is found in a much lower concentration (1% of the muscle mass), but the total amount exceeds that in liver. Small amounts of glycogen are found in the kidneys, and even smaller amounts in certain glial cells in the brain and white blood cells.

Structure

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

 
  Mrv1652305271900142D          
 
 45 48  0  0  1  0            999 V2000
   12.3910  -11.5456    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6900  -10.7275    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.6306  -11.9259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9391  -12.1409    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.5239  -10.5938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0257   -9.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8518  -11.6611    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.7257  -12.0046    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.6795  -12.9302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0300  -11.2546    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6002   -9.2996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5476  -10.8979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3247  -12.3245    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.2450  -12.6444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8691  -11.3647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0653   -8.6729    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7190  -10.7931    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5249  -12.2143    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7143  -12.9273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5115  -10.8534    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.3406   -7.8993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2550   -8.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2076  -11.4591    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2304  -10.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0189  -12.8725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5561  -10.0274    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.2222  -11.2809    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8057   -7.2726    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7201   -8.2034    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9928   -9.5288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3920  -11.3673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4941   -9.7013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2956   -9.6419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8487   -9.4365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9302  -10.9137    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.1907  -12.1121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9928   -7.4246    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.2293   -6.3565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9125   -8.3712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9826  -10.0877    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.1030   -8.7687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6146  -11.3673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4290   -6.7979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7272   -5.8702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6860   -9.7153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  6  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  7  3  1  6  0  0  0
  4  8  1  0  0  0  0
  4  9  1  1  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  1  6  0  0  0
 16 11  1  6  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  6  0  0  0
 20 15  1  6  0  0  0
 16 21  1  0  0  0  0
 16 22  1  0  0  0  0
 17 23  1  0  0  0  0
 17 24  1  1  0  0  0
 18 25  1  1  0  0  0
 20 26  1  0  0  0  0
 20 27  1  0  0  0  0
 21 28  1  0  0  0  0
 22 29  1  0  0  0  0
 22 30  1  6  0  0  0
 23 31  1  6  0  0  0
 24 32  1  0  0  0  0
 26 33  1  0  0  0  0
 26 34  1  1  0  0  0
 27 35  1  0  0  0  0
 27 36  1  1  0  0  0
 28 37  1  0  0  0  0
 28 38  1  1  0  0  0
 29 39  1  1  0  0  0
 33 40  1  0  0  0  0
 34 41  1  0  0  0  0
 35 42  1  6  0  0  0
 37 43  1  6  0  0  0
 38 44  1  0  0  0  0
 40 45  1  6  0  0  0
  8 10  1  0  0  0  0
 18 23  1  0  0  0  0
 29 37  1  0  0  0  0
 35 40  1  0  0  0  0
M  END

HMDB0000757
     RDKit          3D
Glycogen
 87 90  0  0  0  0  0  0  0  0999 V2000
   -0.1394    5.9517   -0.7705 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6274    5.6181   -2.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2124    4.5600   -2.7001 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2352    3.4339   -1.9760 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7816    2.5624   -1.9204 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3616    1.2497   -1.6096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9508    0.9019   -0.4014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5805   -0.4805    0.0481 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7597   -0.6917    0.2460 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3063   -0.0210    1.3426 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4285   -0.7239    1.7118 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6315   -0.1150    1.6407 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4410   -0.8384    0.5544 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4987   -0.0094   -0.7212 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0856   -0.8136   -1.6887 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6820   -1.2442    0.9962 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4723   -0.1705    1.3593 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7194   -0.7105    1.7489 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8094    0.5587    2.4839 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6506    0.5703    3.6195 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4614   -0.0786    2.8653 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9553    0.8008    3.8499 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3524   -0.0129    2.5149 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9896   -0.0358    3.7499 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5228   -1.2641    2.3398 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1355   -1.6095    3.5175 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4542   -0.9508    1.2027 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2840   -1.9901    0.8352 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6343   -1.7165    0.8720 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2502   -1.9376   -0.3596 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8788   -3.1295   -0.9445 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8155   -3.4598   -2.0948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1336   -3.5844   -1.6761 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7241   -4.3030   -0.0633 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6485   -5.0996   -0.5262 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6289   -4.0610    1.4006 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1062   -5.1088    2.1726 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2731   -2.7363    1.8086 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0637   -2.4534    3.1392 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6288    2.5709   -3.1532 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2078    1.3184   -3.3993 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8145    2.9945   -4.3295 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5025    2.9746   -5.5247 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2798    4.3971   -4.1138 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7902    4.5811   -4.9738 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8930    6.3668   -0.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7636    6.5189   -2.6740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6367    5.1980   -1.8645 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2580    5.0008   -2.7249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4629    2.9049   -1.0793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0647    0.9063   -0.5349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7301    1.7075    0.3011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8573   -1.1515   -0.8210 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4640    1.0033    1.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5021    0.9296    1.2705 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9150   -1.7885    0.2351 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4174    0.1602   -1.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9654    0.9657   -0.5941 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1634   -1.7587   -1.4110 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6120    0.5090    0.5136 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7672   -0.7129    2.7250 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712    1.6094    2.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6844    1.4570    4.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7175   -1.0561    3.2839 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0716    1.7232    3.4576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3418    0.8425    2.4893 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9910   -0.9932    4.0439 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2106   -2.0641    2.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6262   -2.3128    3.9537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0749   -0.0926    1.4801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8900   -0.7101    1.1945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8791   -2.9318   -1.4352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4500   -4.4124   -2.5688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8010   -2.7008   -2.8906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4268   -4.5070   -1.8865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6247   -4.9702   -0.2204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2992   -5.6131    0.2336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5417   -3.9529    1.6628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5690   -5.7389    1.5362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3759   -2.7768    1.6584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6786   -3.1722    3.6690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4777    3.2958   -2.9821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9689    1.2362   -2.7458 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0694    2.3280   -4.3915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4707    2.9429   -5.3024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0687    5.1160   -4.3810 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5393    5.0009   -5.8311 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  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  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 10 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 31 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
  5 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
 42 44  1  0
 44 45  1  0
 44  3  1  0
 27  8  1  0
 38 29  1  0
 21 12  1  0
  1 46  1  0
  2 47  1  0
  2 48  1  0
  3 49  1  6
  5 50  1  1
  7 51  1  0
  7 52  1  0
  8 53  1  6
 10 54  1  6
 12 55  1  6
 13 56  1  6
 14 57  1  0
 14 58  1  0
 15 59  1  0
 17 60  1  6
 18 61  1  0
 19 62  1  6
 20 63  1  0
 21 64  1  1
 22 65  1  0
 23 66  1  1
 24 67  1  0
 25 68  1  6
 26 69  1  0
 27 70  1  1
 29 71  1  1
 31 72  1  6
 32 73  1  0
 32 74  1  0
 33 75  1  0
 34 76  1  1
 35 77  1  0
 36 78  1  1
 37 79  1  0
 38 80  1  1
 39 81  1  0
 40 82  1  1
 41 83  1  0
 42 84  1  6
 43 85  1  0
 44 86  1  6
 45 87  1  0
M  END

 
  Mrv1652305271900142D          
 
 45 48  0  0  1  0            999 V2000
   12.3910  -11.5456    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6900  -10.7275    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.6306  -11.9259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9391  -12.1409    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.5239  -10.5938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0257   -9.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8518  -11.6611    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.7257  -12.0046    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.6795  -12.9302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0300  -11.2546    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6002   -9.2996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5476  -10.8979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3247  -12.3245    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.2450  -12.6444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8691  -11.3647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0653   -8.6729    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7190  -10.7931    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5249  -12.2143    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7143  -12.9273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5115  -10.8534    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.3406   -7.8993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2550   -8.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2076  -11.4591    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2304  -10.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0189  -12.8725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5561  -10.0274    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.2222  -11.2809    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8057   -7.2726    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7201   -8.2034    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9928   -9.5288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3920  -11.3673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4941   -9.7013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2956   -9.6419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8487   -9.4365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9302  -10.9137    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.1907  -12.1121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9928   -7.4246    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.2293   -6.3565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9125   -8.3712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9826  -10.0877    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.1030   -8.7687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6146  -11.3673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4290   -6.7979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7272   -5.8702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6860   -9.7153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  6  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  7  3  1  6  0  0  0
  4  8  1  0  0  0  0
  4  9  1  1  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  1  6  0  0  0
 16 11  1  6  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  6  0  0  0
 20 15  1  6  0  0  0
 16 21  1  0  0  0  0
 16 22  1  0  0  0  0
 17 23  1  0  0  0  0
 17 24  1  1  0  0  0
 18 25  1  1  0  0  0
 20 26  1  0  0  0  0
 20 27  1  0  0  0  0
 21 28  1  0  0  0  0
 22 29  1  0  0  0  0
 22 30  1  6  0  0  0
 23 31  1  6  0  0  0
 24 32  1  0  0  0  0
 26 33  1  0  0  0  0
 26 34  1  1  0  0  0
 27 35  1  0  0  0  0
 27 36  1  1  0  0  0
 28 37  1  0  0  0  0
 28 38  1  1  0  0  0
 29 39  1  1  0  0  0
 33 40  1  0  0  0  0
 34 41  1  0  0  0  0
 35 42  1  6  0  0  0
 37 43  1  6  0  0  0
 38 44  1  0  0  0  0
 40 45  1  6  0  0  0
  8 10  1  0  0  0  0
 18 23  1  0  0  0  0
 29 37  1  0  0  0  0
 35 40  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0000757

> <DATABASE_NAME>
hmdb

> <SMILES>
OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1

> <INCHI_KEY>
BYSGBSNPRWKUQH-UJDJLXLFSA-N

> <FORMULA>
C24H42O21

> <MOLECULAR_WEIGHT>
666.5777

> <EXACT_MASS>
666.221858406

> <JCHEM_ACCEPTOR_COUNT>
21

> <JCHEM_ATOM_COUNT>
87

> <JCHEM_AVERAGE_POLARIZABILITY>
61.38637800234001

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
14

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-{[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-2-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
-2.67

> <JCHEM_LOGP>
-8.245046155

> <ALOGPS_LOGS>
-0.29

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.869173974378574

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.191977452335088

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6786216252270156

> <JCHEM_POLAR_SURFACE_AREA>
347.83000000000004

> <JCHEM_REFRACTIVITY>
133.16330000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.43e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-{[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-2-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0000757
     RDKit          3D
Glycogen
 87 90  0  0  0  0  0  0  0  0999 V2000
   -0.1394    5.9517   -0.7705 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6274    5.6181   -2.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2124    4.5600   -2.7001 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2352    3.4339   -1.9760 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7816    2.5624   -1.9204 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3616    1.2497   -1.6096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9508    0.9019   -0.4014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5805   -0.4805    0.0481 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7597   -0.6917    0.2460 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3063   -0.0210    1.3426 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4285   -0.7239    1.7118 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6315   -0.1150    1.6407 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4410   -0.8384    0.5544 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4987   -0.0094   -0.7212 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0856   -0.8136   -1.6887 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6820   -1.2442    0.9962 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4723   -0.1705    1.3593 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7194   -0.7105    1.7489 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8094    0.5587    2.4839 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6506    0.5703    3.6195 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4614   -0.0786    2.8653 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9553    0.8008    3.8499 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3524   -0.0129    2.5149 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9896   -0.0358    3.7499 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5228   -1.2641    2.3398 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1355   -1.6095    3.5175 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4542   -0.9508    1.2027 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2840   -1.9901    0.8352 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6343   -1.7165    0.8720 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2502   -1.9376   -0.3596 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8788   -3.1295   -0.9445 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8155   -3.4598   -2.0948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1336   -3.5844   -1.6761 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7241   -4.3030   -0.0633 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6485   -5.0996   -0.5262 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6289   -4.0610    1.4006 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1062   -5.1088    2.1726 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2731   -2.7363    1.8086 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0637   -2.4534    3.1392 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6288    2.5709   -3.1532 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2078    1.3184   -3.3993 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8145    2.9945   -4.3295 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5025    2.9746   -5.5247 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2798    4.3971   -4.1138 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7902    4.5811   -4.9738 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8930    6.3668   -0.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7636    6.5189   -2.6740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6367    5.1980   -1.8645 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2580    5.0008   -2.7249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4629    2.9049   -1.0793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0647    0.9063   -0.5349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7301    1.7075    0.3011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8573   -1.1515   -0.8210 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4640    1.0033    1.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5021    0.9296    1.2705 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9150   -1.7885    0.2351 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4174    0.1602   -1.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9654    0.9657   -0.5941 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1634   -1.7587   -1.4110 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6120    0.5090    0.5136 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7672   -0.7129    2.7250 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712    1.6094    2.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6844    1.4570    4.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7175   -1.0561    3.2839 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0716    1.7232    3.4576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3418    0.8425    2.4893 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9910   -0.9932    4.0439 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2106   -2.0641    2.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6262   -2.3128    3.9537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0749   -0.0926    1.4801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8900   -0.7101    1.1945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8791   -2.9318   -1.4352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4500   -4.4124   -2.5688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8010   -2.7008   -2.8906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4268   -4.5070   -1.8865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6247   -4.9702   -0.2204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2992   -5.6131    0.2336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5417   -3.9529    1.6628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5690   -5.7389    1.5362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3759   -2.7768    1.6584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6786   -3.1722    3.6690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4777    3.2958   -2.9821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9689    1.2362   -2.7458 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0694    2.3280   -4.3915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4707    2.9429   -5.3024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0687    5.1160   -4.3810 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5393    5.0009   -5.8311 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  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  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 10 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 31 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
  5 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
 42 44  1  0
 44 45  1  0
 44  3  1  0
 27  8  1  0
 38 29  1  0
 21 12  1  0
  1 46  1  0
  2 47  1  0
  2 48  1  0
  3 49  1  6
  5 50  1  1
  7 51  1  0
  7 52  1  0
  8 53  1  6
 10 54  1  6
 12 55  1  6
 13 56  1  6
 14 57  1  0
 14 58  1  0
 15 59  1  0
 17 60  1  6
 18 61  1  0
 19 62  1  6
 20 63  1  0
 21 64  1  1
 22 65  1  0
 23 66  1  1
 24 67  1  0
 25 68  1  6
 26 69  1  0
 27 70  1  1
 29 71  1  1
 31 72  1  6
 32 73  1  0
 32 74  1  0
 33 75  1  0
 34 76  1  1
 35 77  1  0
 36 78  1  1
 37 79  1  0
 38 80  1  1
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 40 82  1  1
 41 83  1  0
 42 84  1  6
 43 85  1  0
 44 86  1  6
 45 87  1  0
M  END

HEADER    PROTEIN                                 27-MAY-19   NONE
TITLE     NULL                                                        
COMPND    MOLECULE:                                                   
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-MAY-19         0                                  
HETATM    1  C   UNK     0      23.130 -21.552   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      23.688 -20.025   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      21.710 -22.262   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      24.153 -22.663   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      25.245 -19.775   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      22.448 -18.454   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      20.257 -21.767   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      25.621 -22.409   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      23.668 -24.136   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      26.189 -21.009   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      23.520 -17.359   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      19.689 -20.343   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      19.273 -23.006   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      26.591 -23.603   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      27.756 -21.214   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      22.522 -16.189   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      18.142 -20.147   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      17.780 -22.800   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      20.000 -24.131   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      28.955 -20.260   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      23.036 -14.745   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      21.009 -16.473   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      17.188 -21.390   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      17.230 -19.051   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      16.835 -24.029   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      29.038 -18.718   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      30.281 -21.058   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      22.037 -13.576   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      20.011 -15.313   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      20.520 -17.787   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      15.665 -21.219   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      17.722 -18.109   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      30.418 -17.998   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      27.718 -17.615   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      31.603 -20.372   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      30.223 -22.609   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      20.520 -13.859   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      22.828 -11.865   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      18.503 -15.626   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      31.701 -18.830   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      28.192 -16.368   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0      32.881 -21.219   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0      19.467 -12.689   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0      21.891 -10.958   0.000  0.00  0.00           O+0
HETATM   45  O   UNK     0      33.014 -18.135   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                                                       
CONECT    6    2   11                                                       
CONECT    7    3   12   13                                                  
CONECT    8    4   14   10                                                  
CONECT    9    4                                                            
CONECT   10    5   15    8                                                  
CONECT   11    6   16                                                       
CONECT   12    7   17                                                       
CONECT   13    7   18   19                                                  
CONECT   14    8                                                            
CONECT   15   10   20                                                       
CONECT   16   11   21   22                                                  
CONECT   17   12   23   24                                                  
CONECT   18   13   25   23                                                  
CONECT   19   13                                                            
CONECT   20   15   26   27                                                  
CONECT   21   16   28                                                       
CONECT   22   16   29   30                                                  
CONECT   23   17   31   18                                                  
CONECT   24   17   32                                                       
CONECT   25   18                                                            
CONECT   26   20   33   34                                                  
CONECT   27   20   35   36                                                  
CONECT   28   21   37   38                                                  
CONECT   29   22   39   37                                                  
CONECT   30   22                                                            
CONECT   31   23                                                            
CONECT   32   24                                                            
CONECT   33   26   40                                                       
CONECT   34   26   41                                                       
CONECT   35   27   42   40                                                  
CONECT   36   27                                                            
CONECT   37   28   43   29                                                  
CONECT   38   28   44                                                       
CONECT   39   29                                                            
CONECT   40   33   45   35                                                  
CONECT   41   34                                                            
CONECT   42   35                                                            
CONECT   43   37                                                            
CONECT   44   38                                                            
CONECT   45   40                                                            
MASTER        0    0    0    0    0    0    0    0   45    0   96    0
END

COMPND    HMDB0000757
HETATM    1  O1  UNL     1      -0.139   5.952  -0.770  1.00  0.00           O  
HETATM    2  C1  UNL     1      -0.627   5.618  -2.034  1.00  0.00           C  
HETATM    3  C2  UNL     1       0.212   4.560  -2.700  1.00  0.00           C  
HETATM    4  O2  UNL     1       0.235   3.434  -1.976  1.00  0.00           O  
HETATM    5  C3  UNL     1      -0.782   2.562  -1.920  1.00  0.00           C  
HETATM    6  O3  UNL     1      -0.362   1.250  -1.610  1.00  0.00           O  
HETATM    7  C4  UNL     1      -0.951   0.902  -0.401  1.00  0.00           C  
HETATM    8  C5  UNL     1      -0.580  -0.481   0.048  1.00  0.00           C  
HETATM    9  O4  UNL     1       0.760  -0.692   0.246  1.00  0.00           O  
HETATM   10  C6  UNL     1       1.306  -0.021   1.343  1.00  0.00           C  
HETATM   11  O5  UNL     1       2.428  -0.724   1.712  1.00  0.00           O  
HETATM   12  C7  UNL     1       3.631  -0.115   1.641  1.00  0.00           C  
HETATM   13  C8  UNL     1       4.441  -0.838   0.554  1.00  0.00           C  
HETATM   14  C9  UNL     1       4.499  -0.009  -0.721  1.00  0.00           C  
HETATM   15  O6  UNL     1       5.086  -0.814  -1.689  1.00  0.00           O  
HETATM   16  O7  UNL     1       5.682  -1.244   0.996  1.00  0.00           O  
HETATM   17  C10 UNL     1       6.472  -0.171   1.359  1.00  0.00           C  
HETATM   18  O8  UNL     1       7.719  -0.710   1.749  1.00  0.00           O  
HETATM   19  C11 UNL     1       5.809   0.559   2.484  1.00  0.00           C  
HETATM   20  O9  UNL     1       6.651   0.570   3.620  1.00  0.00           O  
HETATM   21  C12 UNL     1       4.461  -0.079   2.865  1.00  0.00           C  
HETATM   22  O10 UNL     1       3.955   0.801   3.850  1.00  0.00           O  
HETATM   23  C13 UNL     1       0.352  -0.013   2.515  1.00  0.00           C  
HETATM   24  O11 UNL     1       0.990  -0.036   3.750  1.00  0.00           O  
HETATM   25  C14 UNL     1      -0.523  -1.264   2.340  1.00  0.00           C  
HETATM   26  O12 UNL     1      -1.135  -1.609   3.517  1.00  0.00           O  
HETATM   27  C15 UNL     1      -1.454  -0.951   1.203  1.00  0.00           C  
HETATM   28  O13 UNL     1      -2.284  -1.990   0.835  1.00  0.00           O  
HETATM   29  C16 UNL     1      -3.634  -1.716   0.872  1.00  0.00           C  
HETATM   30  O14 UNL     1      -4.250  -1.938  -0.360  1.00  0.00           O  
HETATM   31  C17 UNL     1      -3.879  -3.130  -0.945  1.00  0.00           C  
HETATM   32  C18 UNL     1      -4.815  -3.460  -2.095  1.00  0.00           C  
HETATM   33  O15 UNL     1      -6.134  -3.584  -1.676  1.00  0.00           O  
HETATM   34  C19 UNL     1      -3.724  -4.303  -0.063  1.00  0.00           C  
HETATM   35  O16 UNL     1      -2.648  -5.100  -0.526  1.00  0.00           O  
HETATM   36  C20 UNL     1      -3.629  -4.061   1.401  1.00  0.00           C  
HETATM   37  O17 UNL     1      -4.106  -5.109   2.173  1.00  0.00           O  
HETATM   38  C21 UNL     1      -4.273  -2.736   1.809  1.00  0.00           C  
HETATM   39  O18 UNL     1      -4.064  -2.453   3.139  1.00  0.00           O  
HETATM   40  C22 UNL     1      -1.629   2.571  -3.153  1.00  0.00           C  
HETATM   41  O19 UNL     1      -2.208   1.318  -3.399  1.00  0.00           O  
HETATM   42  C23 UNL     1      -0.814   2.994  -4.330  1.00  0.00           C  
HETATM   43  O20 UNL     1      -1.502   2.975  -5.525  1.00  0.00           O  
HETATM   44  C24 UNL     1      -0.280   4.397  -4.114  1.00  0.00           C  
HETATM   45  O21 UNL     1       0.790   4.581  -4.974  1.00  0.00           O  
HETATM   46  H1  UNL     1      -0.893   6.367  -0.242  1.00  0.00           H  
HETATM   47  H2  UNL     1      -0.764   6.519  -2.674  1.00  0.00           H  
HETATM   48  H3  UNL     1      -1.637   5.198  -1.865  1.00  0.00           H  
HETATM   49  H4  UNL     1       1.258   5.001  -2.725  1.00  0.00           H  
HETATM   50  H5  UNL     1      -1.463   2.905  -1.079  1.00  0.00           H  
HETATM   51  H6  UNL     1      -2.065   0.906  -0.535  1.00  0.00           H  
HETATM   52  H7  UNL     1      -0.730   1.708   0.301  1.00  0.00           H  
HETATM   53  H8  UNL     1      -0.857  -1.151  -0.821  1.00  0.00           H  
HETATM   54  H9  UNL     1       1.464   1.003   1.025  1.00  0.00           H  
HETATM   55  H10 UNL     1       3.502   0.930   1.270  1.00  0.00           H  
HETATM   56  H11 UNL     1       3.915  -1.788   0.235  1.00  0.00           H  
HETATM   57  H12 UNL     1       3.417   0.160  -1.001  1.00  0.00           H  
HETATM   58  H13 UNL     1       4.965   0.966  -0.594  1.00  0.00           H  
HETATM   59  H14 UNL     1       5.163  -1.759  -1.411  1.00  0.00           H  
HETATM   60  H15 UNL     1       6.612   0.509   0.514  1.00  0.00           H  
HETATM   61  H16 UNL     1       7.767  -0.713   2.725  1.00  0.00           H  
HETATM   62  H17 UNL     1       5.571   1.609   2.228  1.00  0.00           H  
HETATM   63  H18 UNL     1       6.684   1.457   4.033  1.00  0.00           H  
HETATM   64  H19 UNL     1       4.717  -1.056   3.284  1.00  0.00           H  
HETATM   65  H20 UNL     1       4.072   1.723   3.458  1.00  0.00           H  
HETATM   66  H21 UNL     1      -0.342   0.843   2.489  1.00  0.00           H  
HETATM   67  H22 UNL     1       0.991  -0.993   4.044  1.00  0.00           H  
HETATM   68  H23 UNL     1       0.211  -2.064   2.022  1.00  0.00           H  
HETATM   69  H24 UNL     1      -0.626  -2.313   3.954  1.00  0.00           H  
HETATM   70  H25 UNL     1      -2.075  -0.093   1.480  1.00  0.00           H  
HETATM   71  H26 UNL     1      -3.890  -0.710   1.194  1.00  0.00           H  
HETATM   72  H27 UNL     1      -2.879  -2.932  -1.435  1.00  0.00           H  
HETATM   73  H28 UNL     1      -4.450  -4.412  -2.569  1.00  0.00           H  
HETATM   74  H29 UNL     1      -4.801  -2.701  -2.891  1.00  0.00           H  
HETATM   75  H30 UNL     1      -6.427  -4.507  -1.887  1.00  0.00           H  
HETATM   76  H31 UNL     1      -4.625  -4.970  -0.220  1.00  0.00           H  
HETATM   77  H32 UNL     1      -2.299  -5.613   0.234  1.00  0.00           H  
HETATM   78  H33 UNL     1      -2.542  -3.953   1.663  1.00  0.00           H  
HETATM   79  H34 UNL     1      -4.569  -5.739   1.536  1.00  0.00           H  
HETATM   80  H35 UNL     1      -5.376  -2.777   1.658  1.00  0.00           H  
HETATM   81  H36 UNL     1      -3.679  -3.172   3.669  1.00  0.00           H  
HETATM   82  H37 UNL     1      -2.478   3.296  -2.982  1.00  0.00           H  
HETATM   83  H38 UNL     1      -2.969   1.236  -2.746  1.00  0.00           H  
HETATM   84  H39 UNL     1       0.069   2.328  -4.391  1.00  0.00           H  
HETATM   85  H40 UNL     1      -2.471   2.943  -5.302  1.00  0.00           H  
HETATM   86  H41 UNL     1      -1.069   5.116  -4.381  1.00  0.00           H  
HETATM   87  H42 UNL     1       0.539   5.001  -5.831  1.00  0.00           H  
CONECT    1    2   46
CONECT    2    3   47   48
CONECT    3    4   44   49
CONECT    4    5
CONECT    5    6   40   50
CONECT    6    7
CONECT    7    8   51   52
CONECT    8    9   27   53
CONECT    9   10
CONECT   10   11   23   54
CONECT   11   12
CONECT   12   13   21   55
CONECT   13   14   16   56
CONECT   14   15   57   58
CONECT   15   59
CONECT   16   17
CONECT   17   18   19   60
CONECT   18   61
CONECT   19   20   21   62
CONECT   20   63
CONECT   21   22   64
CONECT   22   65
CONECT   23   24   25   66
CONECT   24   67
CONECT   25   26   27   68
CONECT   26   69
CONECT   27   28   70
CONECT   28   29
CONECT   29   30   38   71
CONECT   30   31
CONECT   31   32   34   72
CONECT   32   33   73   74
CONECT   33   75
CONECT   34   35   36   76
CONECT   35   77
CONECT   36   37   38   78
CONECT   37   79
CONECT   38   39   80
CONECT   39   81
CONECT   40   41   42   82
CONECT   41   83
CONECT   42   43   44   84
CONECT   43   85
CONECT   44   45   86
CONECT   45   87
END

HMDB0000757
     RDKit          3D
Glycogen
 87 90  0  0  0  0  0  0  0  0999 V2000
   -0.1394    5.9517   -0.7705 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6274    5.6181   -2.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2124    4.5600   -2.7001 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2352    3.4339   -1.9760 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7816    2.5624   -1.9204 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3616    1.2497   -1.6096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9508    0.9019   -0.4014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5805   -0.4805    0.0481 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7597   -0.6917    0.2460 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3063   -0.0210    1.3426 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4285   -0.7239    1.7118 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6315   -0.1150    1.6407 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4410   -0.8384    0.5544 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4987   -0.0094   -0.7212 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0856   -0.8136   -1.6887 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6820   -1.2442    0.9962 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4723   -0.1705    1.3593 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7194   -0.7105    1.7489 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8094    0.5587    2.4839 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6506    0.5703    3.6195 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4614   -0.0786    2.8653 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9553    0.8008    3.8499 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3524   -0.0129    2.5149 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9896   -0.0358    3.7499 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5228   -1.2641    2.3398 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1355   -1.6095    3.5175 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4542   -0.9508    1.2027 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2840   -1.9901    0.8352 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6343   -1.7165    0.8720 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2502   -1.9376   -0.3596 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8788   -3.1295   -0.9445 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8155   -3.4598   -2.0948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1336   -3.5844   -1.6761 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7241   -4.3030   -0.0633 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6485   -5.0996   -0.5262 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6289   -4.0610    1.4006 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1062   -5.1088    2.1726 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2731   -2.7363    1.8086 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0637   -2.4534    3.1392 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6288    2.5709   -3.1532 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2078    1.3184   -3.3993 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8145    2.9945   -4.3295 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5025    2.9746   -5.5247 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2798    4.3971   -4.1138 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7902    4.5811   -4.9738 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8930    6.3668   -0.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7636    6.5189   -2.6740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6367    5.1980   -1.8645 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2580    5.0008   -2.7249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4629    2.9049   -1.0793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0647    0.9063   -0.5349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7301    1.7075    0.3011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8573   -1.1515   -0.8210 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4640    1.0033    1.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5021    0.9296    1.2705 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9150   -1.7885    0.2351 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4174    0.1602   -1.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9654    0.9657   -0.5941 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1634   -1.7587   -1.4110 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6120    0.5090    0.5136 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7672   -0.7129    2.7250 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712    1.6094    2.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6844    1.4570    4.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7175   -1.0561    3.2839 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0716    1.7232    3.4576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3418    0.8425    2.4893 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9910   -0.9932    4.0439 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2106   -2.0641    2.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6262   -2.3128    3.9537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0749   -0.0926    1.4801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8900   -0.7101    1.1945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8791   -2.9318   -1.4352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4500   -4.4124   -2.5688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8010   -2.7008   -2.8906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4268   -4.5070   -1.8865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6247   -4.9702   -0.2204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2992   -5.6131    0.2336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5417   -3.9529    1.6628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5690   -5.7389    1.5362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3759   -2.7768    1.6584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6786   -3.1722    3.6690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4777    3.2958   -2.9821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9689    1.2362   -2.7458 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0694    2.3280   -4.3915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4707    2.9429   -5.3024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0687    5.1160   -4.3810 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5393    5.0009   -5.8311 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  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  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 10 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 31 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
  5 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
 42 44  1  0
 44 45  1  0
 44  3  1  0
 27  8  1  0
 38 29  1  0
 21 12  1  0
  1 46  1  0
  2 47  1  0
  2 48  1  0
  3 49  1  6
  5 50  1  1
  7 51  1  0
  7 52  1  0
  8 53  1  6
 10 54  1  6
 12 55  1  6
 13 56  1  6
 14 57  1  0
 14 58  1  0
 15 59  1  0
 17 60  1  6
 18 61  1  0
 19 62  1  6
 20 63  1  0
 21 64  1  1
 22 65  1  0
 23 66  1  1
 24 67  1  0
 25 68  1  6
 26 69  1  0
 27 70  1  1
 29 71  1  1
 31 72  1  6
 32 73  1  0
 32 74  1  0
 33 75  1  0
 34 76  1  1
 35 77  1  0
 36 78  1  1
 37 79  1  0
 38 80  1  1
 39 81  1  0
 40 82  1  1
 41 83  1  0
 42 84  1  6
 43 85  1  0
 44 86  1  6
 45 87  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Animal starch	HMDB
Liver starch	HMDB
Lyoglycogen	HMDB
Phytoglycogen	HMDB

Chemical Formula

C₂₄H₄₂O₂₁

Average Molecular Weight

666.5777

Monoisotopic Molecular Weight

666.221858406

IUPAC Name

(2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-{[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-2-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Traditional Name

CAS Registry Number

9005-79-2

SMILES

OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1

InChI Key

BYSGBSNPRWKUQH-UJDJLXLFSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Oligosaccharides

Alternative Parents

Substituents

Oligosaccharide
O-glycosyl compound
Glycosyl compound
Oxane
Secondary alcohol
Hemiacetal
Oxacycle
Organoheterocyclic compound
Polyol
Acetal
Hydrocarbon derivative
Primary alcohol
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

glycogens (CHEBI:28087 )

Ontology

Not Available

Adipose tissue (HMDB: HMDB0000757)
Adipose tissue (HMDB: HMDB0000757)

Epithelium

Epidermis (HMDB: HMDB0000757)

Muscle tissue

Skeletal muscle (HMDB: HMDB0000757)
Skeletal muscle (HMDB: HMDB0000757)

Non-excretory biofluid

Biofluid or Excreta

Blood (HMDB: HMDB0000757)

Cell

Fibroblast

Fibroblast (HMDB: HMDB0000757)

Hematocyte

Platelet (HMDB: HMDB0000757)

Tissue substructure

Muscle (HMDB: HMDB0000757)

Organ substructure

Organ

Gland

Adrenal Gland (HMDB: HMDB0000757)
Adrenal Gland (HMDB: HMDB0000757)

Excreta

Biofluid or Excreta

Urine (HMDB: HMDB0000757)

Cellular substructure

Stratum Corneum (HMDB: HMDB0000757)

Source

Endogenous

Endogenous (HMDB: HMDB0000757)

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Starch and Sucrose Metabolism (HMDB: HMDB0000757)
Starch and Sucrose Metabolism (HMDB: HMDB0000757)
Starch and Sucrose Metabolism (PathBank: SMP0002380)
Secondary Metabolites: Trehalose Biosynthesis and Metabolism (PathBank: SMP0121327)

Disease pathway

Role

Biological role

Drug metabolite (HMDB: HMDB0000757)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	270 - 280 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	343 g/L	ALOGPS
logP	-2.7	ALOGPS
logP	-8.2	ChemAxon
logS	-0.29	ALOGPS
pKa (Strongest Acidic)	11.19	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	21	ChemAxon
Hydrogen Donor Count	14	ChemAxon
Polar Surface Area	347.83 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	133.16 m³·mol⁻¹	ChemAxon
Polarizability	61.39 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
AllCCS	[M+H]+	238.016	32859911
AllCCS	[M-H]-	228.401	32859911
DeepCCS	[M+H]+	232.018	30932474
DeepCCS	[M-H]-	230.294	30932474
DeepCCS	[M-2H]-	264.327	30932474
DeepCCS	[M+Na]+	238.284	30932474
AllCCS	[M+H]+	238.0	32859911
AllCCS	[M+H-H2O]+	237.4	32859911
AllCCS	[M+NH4]+	238.6	32859911
AllCCS	[M+Na]+	238.7	32859911
AllCCS	[M-H]-	228.4	32859911
AllCCS	[M+Na-2H]-	229.6	32859911
AllCCS	[M+HCOO]-	231.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Glycogen	OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	3827.7	Standard polar	33892256
Glycogen	OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5038.5	Standard non polar	33892256
Glycogen	OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5572.1	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Glycogen GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycogen GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycogen GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycogen GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycogen GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycogen GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycogen GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycogen GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycogen GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycogen GC-MS (TMS_1_10) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycogen GC-MS (TMS_1_11) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycogen GC-MS (TMS_1_12) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycogen GC-MS (TMS_1_13) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycogen GC-MS (TMS_1_14) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycogen GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycogen GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycogen GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycogen GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycogen GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycogen GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycogen GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycogen GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycogen GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycogen GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycogen GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycogen 10V, Positive-QTOF	splash10-000b-0401739000-7d2f2aaa7732e23ef9fe	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycogen 20V, Positive-QTOF	splash10-000i-0505921000-56fc10eb2d6cb63bc487	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycogen 40V, Positive-QTOF	splash10-0043-1906412000-81ae228fd873321b008c	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycogen 10V, Negative-QTOF	splash10-0gbj-0400339000-de452d5dddd55d2855ff	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycogen 20V, Negative-QTOF	splash10-004s-3901435000-bc5da17144e98986d7b1	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycogen 40V, Negative-QTOF	splash10-004i-4839321000-4dfca4172b8470e37b09	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycogen 10V, Negative-QTOF	splash10-066r-0100029000-b6e0ee6c4d7da972d403	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycogen 20V, Negative-QTOF	splash10-0cfr-8200197000-418a1a524982d51ac37c	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycogen 40V, Negative-QTOF	splash10-052o-9112031000-54aa8775ffd121394c79	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycogen 10V, Positive-QTOF	splash10-014j-0000219000-3e1e676b7e59ddc5e400	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycogen 20V, Positive-QTOF	splash10-0ap1-1202269000-46a5b5753a69d2459f1c	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycogen 40V, Positive-QTOF	splash10-00mp-9105250000-f7a96871cd5435e63e92	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Experimental 1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, experimental)	2012-12-04	Wishart Lab	View Spectrum
Experimental 2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)	2012-12-05	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm (predicted from logP)

Biospecimen Locations

Blood
Urine

Tissue Locations

Adipose Tissue
Adrenal Cortex
Adrenal Gland
Adrenal Medulla
Brain
Epidermis
Fibroblasts
Kidney
Liver
Neuron
Pancreas
Placenta
Platelet
Skeletal Muscle
Testis

Pathways

Name	SMPDB/PathBank	KEGG
Starch and Sucrose Metabolism
Glycogen synthetase deficiency		Not Available
Glycogenosis, Type III. Cori disease, Debrancher glycogenosis		Not Available
Glycogenosis, Type IV. Amylopectinosis, Anderson disease		Not Available
Glycogenosis, Type VI. Hers disease		Not Available

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	39.1 +/- 3.1 uM	Adult (>18 years old)	Male	Normal	Geigy Scientific ...	details
Blood	Detected and Quantified	43.3 +/- 3.4 uM	Adult (>18 years old)	Both	Normal	Geigy Scientific ...	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Normal	Not Available	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB022227

KNApSAcK ID

Not Available

Chemspider ID

388322

KEGG Compound ID

C00182

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Glycogen

METLIN ID

160

PubChem Compound

439177

PDB ID

Not Available

ChEBI ID

28087

Food Biomarker Ontology

Not Available

VMH ID

GLYCOGEN

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Parodi A J; Krisman C R; Mordoh J In vitro synthesis of particulate glycogen from uridine diphosphate glucose. II. Some studies on the growth process. Archives of biochemistry and biophysics (1970), 141(1), 219-27.

Material Safety Data Sheet (MSDS)

Not Available

General References

Zderic TW, Schenk S, Davidson CJ, Byerley LO, Coyle EF: Manipulation of dietary carbohydrate and muscle glycogen affects glucose uptake during exercise when fat oxidation is impaired by beta-adrenergic blockade. Am J Physiol Endocrinol Metab. 2004 Dec;287(6):E1195-201. Epub 2004 Aug 17. [PubMed:15315908 ]
Schaart G, Hesselink RP, Keizer HA, van Kranenburg G, Drost MR, Hesselink MK: A modified PAS stain combined with immunofluorescence for quantitative analyses of glycogen in muscle sections. Histochem Cell Biol. 2004 Aug;122(2):161-9. Epub 2004 Aug 3. [PubMed:15322861 ]
Wee SL, Williams C, Tsintzas K, Boobis L: Ingestion of a high-glycemic index meal increases muscle glycogen storage at rest but augments its utilization during subsequent exercise. J Appl Physiol (1985). 2005 Aug;99(2):707-14. Epub 2005 Apr 14. [PubMed:15831796 ]
Zehnder M, Muelli M, Buchli R, Kuehne G, Boutellier U: Further glycogen decrease during early recovery after eccentric exercise despite a high carbohydrate intake. Eur J Nutr. 2004 Jun;43(3):148-59. Epub 2004 Jan 6. [PubMed:15168037 ]
Koopman R, Manders RJ, Jonkers RA, Hul GB, Kuipers H, van Loon LJ: Intramyocellular lipid and glycogen content are reduced following resistance exercise in untrained healthy males. Eur J Appl Physiol. 2006 Mar;96(5):525-34. Epub 2005 Dec 21. [PubMed:16369816 ]
Jentjens R, Jeukendrup A: Determinants of post-exercise glycogen synthesis during short-term recovery. Sports Med. 2003;33(2):117-44. [PubMed:12617691 ]
Ouwens DM, van der Zon GC, Maassen JA: Modulation of insulin-stimulated glycogen synthesis by Src Homology Phosphatase 2. Mol Cell Endocrinol. 2001 Apr 25;175(1-2):131-40. [PubMed:11325523 ]
Koppersmith DL, Powers JM, Hennigar GR: Angiomatoid neuroblastoma with cytoplasmic glycogen: a case report and histogenetic considerations. Cancer. 1980 Feb;45(3):553-60. [PubMed:7353205 ]
Kohler G, Boutellier U: Glycogen reduction in non-exercising muscle depends on blood lactate concentration. Eur J Appl Physiol. 2004 Aug;92(4-5):548-54. [PubMed:15170570 ]
Crosson SM, Khan A, Printen J, Pessin JE, Saltiel AR: PTG gene deletion causes impaired glycogen synthesis and developmental insulin resistance. J Clin Invest. 2003 May;111(9):1423-32. [PubMed:12727934 ]
Dube SN, Nayak BB, Das PK: Effect of foot-electroshock stress on cholinergic activity, tissue glycogen and blood sugar in albino rats. Indian J Physiol Pharmacol. 1978 Jan-Mar;22(1):24-32. [PubMed:567191 ]
Chryssanthopoulos C, Williams C, Nowitz A, Bogdanis G: Skeletal muscle glycogen concentration and metabolic responses following a high glycaemic carbohydrate breakfast. J Sports Sci. 2004 Nov-Dec;22(11-12):1065-71. [PubMed:15801500 ]
Steinberg GR, Watt MJ, McGee SL, Chan S, Hargreaves M, Febbraio MA, Stapleton D, Kemp BE: Reduced glycogen availability is associated with increased AMPKalpha2 activity, nuclear AMPKalpha2 protein abundance, and GLUT4 mRNA expression in contracting human skeletal muscle. Appl Physiol Nutr Metab. 2006 Jun;31(3):302-12. [PubMed:16770359 ]
Hudson ER, Pan DA, James J, Lucocq JM, Hawley SA, Green KA, Baba O, Terashima T, Hardie DG: A novel domain in AMP-activated protein kinase causes glycogen storage bodies similar to those seen in hereditary cardiac arrhythmias. Curr Biol. 2003 May 13;13(10):861-6. [PubMed:12747836 ]
van Loon LJ, Murphy R, Oosterlaar AM, Cameron-Smith D, Hargreaves M, Wagenmakers AJ, Snow R: Creatine supplementation increases glycogen storage but not GLUT-4 expression in human skeletal muscle. Clin Sci (Lond). 2004 Jan;106(1):99-106. [PubMed:14507259 ]
Tomihira M, Kawasaki E, Nakajima H, Imamura Y, Sato Y, Sata M, Kage M, Sugie H, Nunoi K: Intermittent and recurrent hepatomegaly due to glycogen storage in a patient with type 1 diabetes: genetic analysis of the liver glycogen phosphorylase gene (PYGL). Diabetes Res Clin Pract. 2004 Aug;65(2):175-82. [PubMed:15223230 ]
McVie-Wylie AJ, Ding EY, Lawson T, Serra D, Migone FK, Pressley D, Mizutani M, Kikuchi T, Chen YT, Amalfitano A: Multiple muscles in the AMD quail can be "cross-corrected" of pathologic glycogen accumulation after intravenous injection of an [E1-, polymerase-] adenovirus vector encoding human acid-alpha-glucosidase. J Gene Med. 2003 May;5(5):399-406. [PubMed:12731088 ]
Price TB, Laurent D, Petersen KF: 13C/31P NMR studies on the role of glucose transport/phosphorylation in human glycogen supercompensation. Int J Sports Med. 2003 May;24(4):238-44. [PubMed:12784164 ]
Tanis AA, Rietveld T, Wattimena JL, van den Berg JW, Swart GR: The 13CO2 breath test for liver glycogen oxidation after 3-day labeling of the liver with a naturally 13C-enriched diet. Nutrition. 2003 May;19(5):432-7. [PubMed:12714096 ]
Devries MC, Hamadeh MJ, Graham TE, Tarnopolsky MA: 17beta-estradiol supplementation decreases glucose rate of appearance and disappearance with no effect on glycogen utilization during moderate intensity exercise in men. J Clin Endocrinol Metab. 2005 Nov;90(11):6218-25. Epub 2005 Aug 23. [PubMed:16118338 ]

Only showing the first 10 proteins. There are 12 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details

1. Glycogen debranching enzyme

General function:: Involved in catalytic activity
Specific function:: Multifunctional enzyme acting as 1,4-alpha-D-glucan:1,4-alpha-D-glucan 4-alpha-D-glycosyltransferase and amylo-1,6-glucosidase in glycogen degradation.
Gene Name:: AGL
Uniprot ID:: P35573
Molecular weight:: Not Available

Enzyme Details

2. Glycogen phosphorylase, brain form

General function:: Involved in phosphorylase activity
Specific function:: Phosphorylase is an important allosteric enzyme in carbohydrate metabolism. Enzymes from different sources differ in their regulatory mechanisms and in their natural substrates. However, all known phosphorylases share catalytic and structural properties.
Gene Name:: PYGB
Uniprot ID:: P11216
Molecular weight:: 96695.18

Enzyme Details

3. Glycogenin-2

General function:: Involved in transferase activity, transferring glycosyl groups
Specific function:: Self-glucosylates, via an inter-subunit mechanism, to form an oligosaccharide primer that serves as substrate for glycogen synthase.
Gene Name:: GYG2
Uniprot ID:: O15488
Molecular weight:: 51998.955

Enzyme Details

4. Serine/threonine-protein phosphatase PP1-beta catalytic subunit

General function:: Involved in hydrolase activity
Specific function:: Protein phosphatase that associates with over 200 regulatory proteins to form highly specific holoenzymes which dephosphorylate hundreds of biological targets. Protein phosphatase (PP1) is essential for cell division, it participates in the regulation of glycogen metabolism, muscle contractility and protein synthesis. Involved in regulation of ionic conductances and long-term synaptic plasticity. Component of the PTW/PP1 phosphatase complex, which plays a role in the control of chromatin structure and cell cycle progression during the transition from mitosis into interphase.
Gene Name:: PPP1CB
Uniprot ID:: P62140
Molecular weight:: 37186.45

Enzyme Details

5. Laforin

General function:: Involved in carbohydrate binding
Specific function:: Dual specificity protein phosphatase. May be involved in the control of glycogen metabolism, particularly in monitoring for and preventing the formation of poorly branched glycogen molecules (polyglucosans). Acts as a scaffold protein to facilitate PPP1R3C/PTG ubiquitination by NHLRC1/malin. Forms a complex with NHLRC1/malin and HSP70 and this complex suppresses the cellular toxicity of misfolded proteins by promoting their degradation through the ubiquitin-proteasome system (UPS). Isoform 2, an inactive phosphatase, could function as a dominant-negative regulator for the phosphatase activity of isoform 1.
Gene Name:: EPM2A
Uniprot ID:: O95278
Molecular weight:: 35518.41

Enzyme Details

6. Serine/threonine-protein phosphatase PP1-gamma catalytic subunit

General function:: Involved in hydrolase activity
Specific function:: Protein phosphatase that associates with over 200 regulatory proteins to form highly specific holoenzymes which dephosphorylate hundreds of biological targets. Protein phosphatase 1 (PP1) is essential for cell division, and participates in the regulation of glycogen metabolism, muscle contractility and protein synthesis. Dephosphorylates RPS6KB1. Involved in regulation of ionic conductances and long-term synaptic plasticity. May play an important role in dephosphorylating substrates such as the postsynaptic density-associated Ca(2+)/calmodulin dependent protein kinase II. Component of the PTW/PP1 phosphatase complex, which plays a role in the control of chromatin structure and cell cycle progression during the transition from mitosis into interphase.
Gene Name:: PPP1CC
Uniprot ID:: P36873
Molecular weight:: 38517.92

Enzyme Details

7. Alpha-amylase 1

General function:: Involved in catalytic activity
Specific function:: Not Available
Gene Name:: AMY1A
Uniprot ID:: P04745
Molecular weight:: Not Available

Enzyme Details

8. Maltase-glucoamylase, intestinal

General function:: Involved in catalytic activity
Specific function:: May serve as an alternate pathway for starch digestion when luminal alpha-amylase activity is reduced because of immaturity or malnutrition. May play a unique role in the digestion of malted dietary oligosaccharides used in food manufacturing.
Gene Name:: MGAM
Uniprot ID:: O43451
Molecular weight:: Not Available

Enzyme Details

9. Glucan , branching enzyme 1 variant

General function:: Involved in catalytic activity
Specific function:: Not Available
Gene Name:: Not Available
Uniprot ID:: Q59ET0
Molecular weight:: 86112.7

Enzyme Details

10. Serine/threonine-protein phosphatase PP1-alpha catalytic subunit

General function:: Involved in hydrolase activity
Specific function:: Protein phosphatase that associates with over 200 regulatory proteins to form highly specific holoenzymes which dephosphorylate hundreds of biological targets. Protein phosphatase 1 (PP1) is essential for cell division, and participates in the regulation of glycogen metabolism, muscle contractility and protein synthesis. Involved in regulation of ionic conductances and long-term synaptic plasticity. May play an important role in dephosphorylating substrates such as the postsynaptic density-associated Ca(2+)/calmodulin dependent protein kinase II. Component of the PTW/PP1 phosphatase complex, which plays a role in the control of chromatin structure and cell cycle progression during the transition from mitosis into interphase. Regulates NEK2 function in terms of kinase activity and centrosome number and splitting, both in the presence and absence of radiation-induced DNA damage. Regulator of neural tube and optic fissure closure, and enteric neural crest cell (ENCCs) migration during development.
Gene Name:: PPP1CA
Uniprot ID:: P62136
Molecular weight:: 38630.99

Only showing the first 10 proteins. There are 12 proteins in total.

Show all enzymes and transporters

Showing metabocard for Glycogen (HMDB0000757)

MOL for HMDB0000757 (Glycogen)

3D MOL for HMDB0000757 (Glycogen)

3D SDF for HMDB0000757 (Glycogen)

3D-SDF for HMDB0000757 (Glycogen)

PDB for HMDB0000757 (Glycogen)

3D PDB for HMDB0000757 (Glycogen)

SMILES for HMDB0000757 (Glycogen)

INCHI for HMDB0000757 (Glycogen)

Structure for HMDB0000757 (Glycogen)

3D Structure for HMDB0000757 (Glycogen)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes