MiMeDB: Showing metabocard for Glycogen (MMDBc0000297)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2020-10-28 17:47:02 UTC

Update Date

2024-04-30 19:31:45 UTC

Metabolite ID

MMDBc0000297

Metabolite Identification

Common Name

Glycogen

Description

Glycogen is a highly-branched polymer of about 30,000 glucose residues and has a molecular weight between 106 and 107 daltons (4.8 million approx.). Most of Glc units are linked by alpha-1,4 glycosidic bonds, approximately 1 in 12 Glc residues also makes -1,6 glycosidic bond with a second Glc which results 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 glycogenolysis necessary 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 and human 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>
MMDBc0000297

> <DATABASE_NAME>
MIME

> <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
 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

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

Synonyms

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

Molecular Formula

C₂₄H₄₂O₂₁

Average Mass

666.5777

Monoisotopic Mass

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 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted 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

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_10) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_11) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_12) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_13) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_14) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-000b-0401739000-7d2f2aaa7732e23ef9fe	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-000i-0505921000-56fc10eb2d6cb63bc487	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0043-1906412000-81ae228fd873321b008c	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0gbj-0400339000-de452d5dddd55d2855ff	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004s-3901435000-bc5da17144e98986d7b1	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-4839321000-4dfca4172b8470e37b09	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-066r-0100029000-b6e0ee6c4d7da972d403	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0cfr-8200197000-418a1a524982d51ac37c	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-052o-9112031000-54aa8775ffd121394c79	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-014j-0000219000-3e1e676b7e59ddc5e400	2021-09-25	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0ap1-1202269000-46a5b5753a69d2459f1c	2021-09-25	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-00mp-9105250000-f7a96871cd5435e63e92	2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, experimental)		2012-12-04	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, experimental)		2016-10-22	View Spectrum
2D NMR	[¹H, ¹H]-TOCSY. Unexported temporarily by An Chi on Oct 15, 2021 until json or nmrML file is generated. 2D NMR Spectrum (experimental)		2012-12-04	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)		2012-12-05	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

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

Tissue Locations

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

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0192035	Glycogen debranching enzyme	Enzyme	P35573	Homo sapiens
MMDBp0192042	Glycogen phosphorylase, brain form	Enzyme	P11216	Homo sapiens
MMDBp0192701	Glycogenin-2	Unknown	O15488	Homo sapiens
MMDBp0193251	Serine/threonine-protein phosphatase PP1-beta catalytic subunit	Unknown	P62140	Homo sapiens
MMDBp0193315	Laforin	Enzyme	O95278	Homo sapiens
MMDBp0193316	Serine/threonine-protein phosphatase PP1-gamma catalytic subunit	Unknown	P36873	Homo sapiens
MMDBp0193413	Alpha-amylase 1	Unknown	P04745	Homo sapiens
MMDBp0193796	Maltase-glucoamylase, intestinal	Enzyme	O43451	Homo sapiens
MMDBp0194190	Glucan , branching enzyme 1 variant	Enzyme	Q59ET0	Homo sapiens
MMDBp0195451	Serine/threonine-protein phosphatase PP1-alpha catalytic subunit	Unknown	P62136	Homo sapiens
MMDBp0196266	Protein phosphatase 1 regulatory subunit 3C	Enzyme	Q9UQK1	Homo sapiens
MMDBp0196267	Protein phosphatase 1 regulatory subunit 3B	Enzyme	Q86XI6	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Data Source	Reference
MMDBr0010756	Uridine diphosphate glucose	Glycogen	glycogen synthase 1 (muscle)	VMH	30371894
MMDBr0010851	Glycogen	Glucose 1-phosphate	Not Available	VMH	30371894
MMDBr0010889	ADP-Glucose	Glycogen	Not Available	VMH	30371894

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	Bacteroidetes	80	Human feces; Human stool; Human urine; Human saliva; Human ; Human appendix biopsy; Human gastric fluid; Human subgingival plaque; Human supragingival plaque	Microbial culture; Metabolic reconstruction
Bacteria	Firmicutes	198	Human stool; Human ; Human feces; Human supragingival plaque; Human urine; Human sputum; Human subgingival plaque; Human saliva; Human mucosa; Human vaginal fluid; Pig ; Cattle	Microbial culture; Metabolic reconstruction
Bacteria	Actinobacteria	68	Human ; Human feces; Human mucosa; Human saliva; Human supragingival plaque; Human pleural fluid plaque; Human dental plaque; Human sputum; Human nasopharyngeal swab; Human subgingival plaque	Microbial culture; Metabolic reconstruction
Bacteria	Deinococcus-thermus	2		Microbial culture
Archaea	Crenarchaeota	1		Microbial culture
Bacteria	Chloroflexi	1		Microbial culture
Bacteria	Spirochaetes	2	Human feces	Microbial culture; Metabolic reconstruction
Eukaryota/Fungi	Ascomycota	2	Human feces; Human saliva	Microbial culture; Unknown
Bacteria	Proteobacteria	85	Pig ; Human feces; Human ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human sputum	Microbial culture; Metabolic reconstruction
Eukaryota	Parabasalia	1		Microbial culture
Bacteria	Fusobacteria	4	Human feces; Human	Metabolic reconstruction
Bacteria	Synergistetes	2	Human feces	Metabolic reconstruction
Bacteria	Planctomycetes	1	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1		Metabolic reconstruction

Exposure Sources

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	39.1	3.1	uM	Adult (>18 years old)	Male	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Blood	Detected and Quantified	43.3	3.4	uM	Adult (>18 years old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Adipose tissue	Detected but not Quantified				Not Specified	Not Specified	Normal	HMDB	34986597
Human Adrenal cortex	Detected but not Quantified				Not Specified	Not Specified	Normal	HMDB	34986597
Human Adrenal gland	Detected but not Quantified				Not Specified	Not Specified	Normal	HMDB	34986597
Human Adrenal medulla	Detected but not Quantified				Not Specified	Not Specified	Normal	HMDB	34986597
Human Brain	Detected but not Quantified				Not Specified	Not Specified	Normal	HMDB	34986597
Human Epidermis	Detected but not Quantified				Not Specified	Not Specified	Normal	HMDB	34986597
Human Fibroblasts	Detected but not Quantified				Not Specified	Not Specified	Normal	HMDB	34986597
Human Kidney	Detected but not Quantified				Not Specified	Not Specified	Normal	HMDB	34986597
Human Liver	Detected but not Quantified				Not Specified	Not Specified	Normal	HMDB	34986597
Human Neuron	Detected but not Quantified				Not Specified	Not Specified	Normal	HMDB	34986597
Human Pancreas	Detected but not Quantified				Not Specified	Not Specified	Normal	HMDB	34986597
Human Placenta	Detected but not Quantified				Not Specified	Not Specified	Normal	HMDB	34986597
Human Platelet	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 Testis	Detected but not Quantified				Not Specified	Not Specified	Normal	HMDB	34986597

External Links

HMDB ID

HMDB0000757

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

References

Synthesis Reference

Not Available

General References

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Showing metabocard for Glycogen (MMDBc0000297)

MOL for #<Metabolite:0x00007fdb59c82e18>

3D MOL for #<Metabolite:0x00007fdb59c82e18>

3D SDF for #<Metabolite:0x00007fdb59c82e18>

3D-SDF for #<Metabolite:0x00007fdb59c82e18>

PDB for #<Metabolite:0x00007fdb59c82e18>

3D PDB for #<Metabolite:0x00007fdb59c82e18>

SMILES for #<Metabolite:0x00007fdb59c82e18>

INCHI for #<Metabolite:0x00007fdb59c82e18>

Structure for #<Metabolite:0x00007fdb59c82e18>

3D Structure for #<Metabolite:0x00007fdb59c82e18>