MiMeDB: Showing metabocard for Uridine diphosphategalactose (MMDBc0029495)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:24:36 UTC

Update Date

2022-08-31 10:32:39 UTC

Metabolite ID

MMDBc0029495

Metabolite Identification

Common Name

Uridine diphosphategalactose

Description

Uridine diphosphategalactose (UDPgal) is a nucleoside diphosphate sugar which can be epimerized into UDPglucose for entry into the mainstream of carbohydrate metabolism. UDPgal is a pivotal compound in the metabolism of galactose. UDPgal is a product of the galactose-L-phosphate uridyl transferase (EC 2.7.7.10) reaction but may also be made from Glucose-L-P, involving uridine diphosphate galactose-4-epimerase (EC 5.1.3.2). UDPgal is the necessary galactosyl donor of galactose in the metabolism to incorporate it into complex oligosaccharides, glycoproteins and glycolipids (galactosides). (PMID: 2122114 , 7671968 )

Structure

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


  Mrv1652307172000052D          

 36 38  0  0  0  0            999 V2000
 9996.7322 9997.8355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.5234 9997.8273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.0311 9999.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.5531 9998.4495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.7456 9999.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.4604 9999.6859    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
 9994.122310000.9252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.3740 9999.1619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.047910000.4013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.872910000.4013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.2856 9999.6880    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10003.0012 9999.2765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.873110000.4055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.698110000.4055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.4284 9998.4536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.428410001.7522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.8576 9999.2765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10005.144010002.1626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10005.857610000.9272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.429110000.9259    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10003.714610000.5134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.7146 9999.6883    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10004.4291 9999.2759    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10005.1436 9999.6883    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10005.143610000.5134    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9995.551810000.9238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.837310000.5113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.8373 9999.6862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9995.5518 9999.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.2663 9999.6862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9996.266310000.5113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.6453 9999.7683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.9779 9999.2833    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9997.2328 9998.4987    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9998.0578 9998.4987    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9998.3127 9999.2833    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 16 18  1  0  0  0  0
 20 25  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 31  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 32 33  1  0  0  0  0
 32 36  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 34  1  1  1  0  0  0
 35  2  1  1  0  0  0
 36  3  1  6  0  0  0
 22 12  1  1  0  0  0
 23 15  1  1  0  0  0
 20 16  1  6  0  0  0
 24 17  1  6  0  0  0
 25 19  1  6  0  0  0
 33 30  1  6  0  0  0
 29  4  2  0  0  0  0
 27  7  2  0  0  0  0
M  END

HMDB0000302
     RDKit          3D
Uridine diphosphategalactose
 60 62  0  0  0  0  0  0  0  0999 V2000
    9.8330   -0.9152   -0.9706 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6422   -0.8485   -0.6682 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7193   -0.4994   -1.6192 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3946   -0.4243   -1.2846 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0049   -0.6893   -0.0251 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6205   -0.5634    0.3590 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9263   -0.0830   -0.7720 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7232    0.3413   -0.1287 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7911    0.7647   -1.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5078    0.7030   -0.5355 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2404   -0.6015   -1.4616 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.7528   -0.0550   -2.6908 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0337   -1.7088   -1.7437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3987   -1.2715   -0.4568 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6721   -0.2444    0.8802 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.5748   -0.5082    1.8806 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4161    1.3812    0.3670 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1388   -0.4325    1.5928 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2459   -0.3451    0.7639 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.7868    0.8954    0.7399 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9265    1.0772    0.0439 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.0456    1.4767    1.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1652    1.7041    0.2381 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4474   -0.1536   -0.6549 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.2291   -0.9000    0.2627 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3992   -1.0004   -1.2700 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.7273   -2.3434   -1.0981 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9906   -0.7434   -0.6856 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5036    0.2829   -1.4677 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2884    1.3745    0.7533 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4822    1.8981    1.7147 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4624    0.5659    1.3641 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0520    0.0968    2.5863 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9030   -1.0259    0.8909 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5314   -1.2648    2.0621 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2226   -1.1168    0.6052 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0130   -0.2740   -2.6665 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6174   -0.1617   -2.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2020   -1.5077    0.6829 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3253   -0.5187    0.4752 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7437    0.2356   -2.1227 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8840    1.9025   -1.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8431   -2.2691   -2.5071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4470    1.9392    1.1726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9623   -1.1127    1.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8522    1.9218   -0.6641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2657    0.5416    1.6277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7408    2.2989    1.6595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9567    2.3339   -0.5121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1493    0.1812   -1.4390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6977   -1.5580   -0.3243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3273   -0.8733   -2.3850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8074   -2.5834   -0.1563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4912   -1.7094   -0.7867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6870    1.1631   -1.1337 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8275    2.1367    0.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4432    2.9024    1.5761 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3798    1.1590    1.4159 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6911    0.4097    3.3182 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9371   -1.3810    1.3045 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
  8 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
  5 34  1  0
 34 35  2  0
 34 36  1  0
 36  2  1  0
 32  6  1  0
 28 19  1  0
  3 37  1  0
  4 38  1  0
  6 39  1  1
  8 40  1  1
  9 41  1  0
  9 42  1  0
 13 43  1  0
 17 44  1  0
 19 45  1  1
 21 46  1  6
 22 47  1  0
 22 48  1  0
 23 49  1  0
 24 50  1  6
 25 51  1  0
 26 52  1  6
 27 53  1  0
 28 54  1  1
 29 55  1  0
 30 56  1  6
 31 57  1  0
 32 58  1  1
 33 59  1  0
 36 60  1  0
M  END


  Mrv1652307172000052D          

 36 38  0  0  0  0            999 V2000
 9996.7322 9997.8355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.5234 9997.8273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.0311 9999.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.5531 9998.4495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.7456 9999.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.4604 9999.6859    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
 9994.122310000.9252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.3740 9999.1619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.047910000.4013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.872910000.4013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.2856 9999.6880    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10003.0012 9999.2765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.873110000.4055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.698110000.4055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.4284 9998.4536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.428410001.7522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.8576 9999.2765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10005.144010002.1626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10005.857610000.9272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.429110000.9259    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10003.714610000.5134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.7146 9999.6883    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10004.4291 9999.2759    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10005.1436 9999.6883    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10005.143610000.5134    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9995.551810000.9238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.837310000.5113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.8373 9999.6862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9995.5518 9999.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.2663 9999.6862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9996.266310000.5113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.6453 9999.7683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.9779 9999.2833    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9997.2328 9998.4987    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9998.0578 9998.4987    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9998.3127 9999.2833    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 16 18  1  0  0  0  0
 20 25  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 31  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 32 33  1  0  0  0  0
 32 36  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 34  1  1  1  0  0  0
 35  2  1  1  0  0  0
 36  3  1  6  0  0  0
 22 12  1  1  0  0  0
 23 15  1  1  0  0  0
 20 16  1  6  0  0  0
 24 17  1  6  0  0  0
 25 19  1  6  0  0  0
 33 30  1  6  0  0  0
 29  4  2  0  0  0  0
 27  7  2  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0029495

> <DATABASE_NAME>
MIME

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

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

> <INCHI_KEY>
HSCJRCZFDFQWRP-ABVWGUQPSA-N

> <FORMULA>
C15H24N2O17P2

> <MOLECULAR_WEIGHT>
566.3018

> <EXACT_MASS>
566.055020376

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
60

> <JCHEM_AVERAGE_POLARIZABILITY>
45.41853143336648

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-1.43

> <JCHEM_LOGP>
-4.996608078666667

> <ALOGPS_LOGS>
-1.58

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.176325128018932

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7326003066859688

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6484093801081894

> <JCHEM_POLAR_SURFACE_AREA>
291.53999999999996

> <JCHEM_REFRACTIVITY>
106.45579999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.50e+01 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0000302
     RDKit          3D
Uridine diphosphategalactose
 60 62  0  0  0  0  0  0  0  0999 V2000
    9.8330   -0.9152   -0.9706 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6422   -0.8485   -0.6682 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7193   -0.4994   -1.6192 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3946   -0.4243   -1.2846 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0049   -0.6893   -0.0251 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6205   -0.5634    0.3590 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9263   -0.0830   -0.7720 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7232    0.3413   -0.1287 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7911    0.7647   -1.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5078    0.7030   -0.5355 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2404   -0.6015   -1.4616 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.7528   -0.0550   -2.6908 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0337   -1.7088   -1.7437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3987   -1.2715   -0.4568 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6721   -0.2444    0.8802 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.5748   -0.5082    1.8806 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4161    1.3812    0.3670 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1388   -0.4325    1.5928 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2459   -0.3451    0.7639 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.7868    0.8954    0.7399 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9265    1.0772    0.0439 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.0456    1.4767    1.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1652    1.7041    0.2381 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4474   -0.1536   -0.6549 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.2291   -0.9000    0.2627 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3992   -1.0004   -1.2700 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.7273   -2.3434   -1.0981 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9906   -0.7434   -0.6856 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5036    0.2829   -1.4677 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2884    1.3745    0.7533 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4822    1.8981    1.7147 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4624    0.5659    1.3641 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0520    0.0968    2.5863 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9030   -1.0259    0.8909 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5314   -1.2648    2.0621 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2226   -1.1168    0.6052 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0130   -0.2740   -2.6665 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6174   -0.1617   -2.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2020   -1.5077    0.6829 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3253   -0.5187    0.4752 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7437    0.2356   -2.1227 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8840    1.9025   -1.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8431   -2.2691   -2.5071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4470    1.9392    1.1726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9623   -1.1127    1.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8522    1.9218   -0.6641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2657    0.5416    1.6277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7408    2.2989    1.6595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9567    2.3339   -0.5121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1493    0.1812   -1.4390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6977   -1.5580   -0.3243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3273   -0.8733   -2.3850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8074   -2.5834   -0.1563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4912   -1.7094   -0.7867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6870    1.1631   -1.1337 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8275    2.1367    0.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4432    2.9024    1.5761 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3798    1.1590    1.4159 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6911    0.4097    3.3182 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9371   -1.3810    1.3045 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
  8 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
  5 34  1  0
 34 35  2  0
 34 36  1  0
 36  2  1  0
 32  6  1  0
 28 19  1  0
  3 37  1  0
  4 38  1  0
  6 39  1  1
  8 40  1  1
  9 41  1  0
  9 42  1  0
 13 43  1  0
 17 44  1  0
 19 45  1  1
 21 46  1  6
 22 47  1  0
 22 48  1  0
 23 49  1  0
 24 50  1  6
 25 51  1  0
 26 52  1  6
 27 53  1  0
 28 54  1  1
 29 55  1  0
 30 56  1  6
 31 57  1  0
 32 58  1  1
 33 59  1  0
 36 60  1  0
M  END

HEADER    PROTEIN                                 17-JUL-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-JUL-20         0                                  
HETATM    1  O   UNK     0    8660.5678662.626   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0    8663.9108662.611   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0    8664.8588666.080   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0    8658.3668663.772   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0    8666.1928665.312   0.000  0.00  0.00           O+0
HETATM    6  P   UNK     0    8667.5268666.080   0.000  0.00  0.00           P+0
HETATM    7  O   UNK     0    8655.6958668.394   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0    8669.2318665.102   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0    8666.7568667.416   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0    8668.2968667.416   0.000  0.00  0.00           O+0
HETATM   11  P   UNK     0    8670.9338666.084   0.000  0.00  0.00           P+0
HETATM   12  O   UNK     0    8672.2698665.316   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0    8670.1638667.424   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0    8671.7038667.424   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0    8674.9338663.780   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0    8674.9338669.937   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0    8677.6018665.316   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0    8676.2698670.704   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0    8677.6018668.397   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0    8674.9348668.395   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0    8673.6018667.625   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0    8673.6018666.085   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0    8674.9348665.315   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0    8676.2688666.085   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0    8676.2688667.625   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0    8658.3638668.391   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0    8657.0308667.621   0.000  0.00  0.00           C+0
HETATM   28  N   UNK     0    8657.0308666.081   0.000  0.00  0.00           N+0
HETATM   29  C   UNK     0    8658.3638665.311   0.000  0.00  0.00           C+0
HETATM   30  N   UNK     0    8659.6978666.081   0.000  0.00  0.00           N+0
HETATM   31  C   UNK     0    8659.6978667.621   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0    8662.2718666.234   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0    8661.0258665.329   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0    8661.5018663.864   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0    8663.0418663.864   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0    8663.5178665.329   0.000  0.00  0.00           C+0
CONECT    1   34                                                            
CONECT    2   35                                                            
CONECT    3    5   36                                                       
CONECT    4   29                                                            
CONECT    5    3    6                                                       
CONECT    6    5    8    9   10                                             
CONECT    7   27                                                            
CONECT    8    6   11                                                       
CONECT    9    6                                                            
CONECT   10    6                                                            
CONECT   11    8   12   13   14                                             
CONECT   12   11   22                                                       
CONECT   13   11                                                            
CONECT   14   11                                                            
CONECT   15   23                                                            
CONECT   16   18   20                                                       
CONECT   17   24                                                            
CONECT   18   16                                                            
CONECT   19   25                                                            
CONECT   20   25   21   16                                                  
CONECT   21   20   22                                                       
CONECT   22   23   21   12                                                  
CONECT   23   22   24   15                                                  
CONECT   24   23   25   17                                                  
CONECT   25   20   24   19                                                  
CONECT   26   27   31                                                       
CONECT   27   26   28    7                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30    4                                                  
CONECT   30   29   31   33                                                  
CONECT   31   26   30                                                       
CONECT   32   33   36                                                       
CONECT   33   34   32   30                                                  
CONECT   34   33   35    1                                                  
CONECT   35   34   36    2                                                  
CONECT   36   35   32    3                                                  
MASTER        0    0    0    0    0    0    0    0   36    0   76    0
END

COMPND    HMDB0000302
HETATM    1  O1  UNL     1       9.833  -0.915  -0.971  1.00  0.00           O  
HETATM    2  C1  UNL     1       8.642  -0.848  -0.668  1.00  0.00           C  
HETATM    3  C2  UNL     1       7.719  -0.499  -1.619  1.00  0.00           C  
HETATM    4  C3  UNL     1       6.395  -0.424  -1.285  1.00  0.00           C  
HETATM    5  N1  UNL     1       6.005  -0.689  -0.025  1.00  0.00           N  
HETATM    6  C4  UNL     1       4.621  -0.563   0.359  1.00  0.00           C  
HETATM    7  O2  UNL     1       3.926  -0.083  -0.772  1.00  0.00           O  
HETATM    8  C5  UNL     1       2.723   0.341  -0.129  1.00  0.00           C  
HETATM    9  C6  UNL     1       1.791   0.765  -1.203  1.00  0.00           C  
HETATM   10  O3  UNL     1       0.508   0.703  -0.535  1.00  0.00           O  
HETATM   11  P1  UNL     1      -0.240  -0.601  -1.462  1.00  0.00           P  
HETATM   12  O4  UNL     1      -0.753  -0.055  -2.691  1.00  0.00           O  
HETATM   13  O5  UNL     1       1.034  -1.709  -1.744  1.00  0.00           O  
HETATM   14  O6  UNL     1      -1.399  -1.271  -0.457  1.00  0.00           O  
HETATM   15  P2  UNL     1      -1.672  -0.244   0.880  1.00  0.00           P  
HETATM   16  O7  UNL     1      -0.575  -0.508   1.881  1.00  0.00           O  
HETATM   17  O8  UNL     1      -1.416   1.381   0.367  1.00  0.00           O  
HETATM   18  O9  UNL     1      -3.139  -0.432   1.593  1.00  0.00           O  
HETATM   19  C7  UNL     1      -4.246  -0.345   0.764  1.00  0.00           C  
HETATM   20  O10 UNL     1      -4.787   0.895   0.740  1.00  0.00           O  
HETATM   21  C8  UNL     1      -5.927   1.077   0.044  1.00  0.00           C  
HETATM   22  C9  UNL     1      -7.046   1.477   1.031  1.00  0.00           C  
HETATM   23  O11 UNL     1      -8.165   1.704   0.238  1.00  0.00           O  
HETATM   24  C10 UNL     1      -6.447  -0.154  -0.655  1.00  0.00           C  
HETATM   25  O12 UNL     1      -7.229  -0.900   0.263  1.00  0.00           O  
HETATM   26  C11 UNL     1      -5.399  -1.000  -1.270  1.00  0.00           C  
HETATM   27  O13 UNL     1      -5.727  -2.343  -1.098  1.00  0.00           O  
HETATM   28  C12 UNL     1      -3.991  -0.743  -0.686  1.00  0.00           C  
HETATM   29  O14 UNL     1      -3.504   0.283  -1.468  1.00  0.00           O  
HETATM   30  C13 UNL     1       3.288   1.375   0.753  1.00  0.00           C  
HETATM   31  O15 UNL     1       2.482   1.898   1.715  1.00  0.00           O  
HETATM   32  C14 UNL     1       4.462   0.566   1.364  1.00  0.00           C  
HETATM   33  O16 UNL     1       4.052   0.097   2.586  1.00  0.00           O  
HETATM   34  C15 UNL     1       6.903  -1.026   0.891  1.00  0.00           C  
HETATM   35  O17 UNL     1       6.531  -1.265   2.062  1.00  0.00           O  
HETATM   36  N2  UNL     1       8.223  -1.117   0.605  1.00  0.00           N  
HETATM   37  H1  UNL     1       8.013  -0.274  -2.666  1.00  0.00           H  
HETATM   38  H2  UNL     1       5.617  -0.162  -2.011  1.00  0.00           H  
HETATM   39  H3  UNL     1       4.202  -1.508   0.683  1.00  0.00           H  
HETATM   40  H4  UNL     1       2.325  -0.519   0.475  1.00  0.00           H  
HETATM   41  H5  UNL     1       1.744   0.236  -2.123  1.00  0.00           H  
HETATM   42  H6  UNL     1       1.884   1.902  -1.358  1.00  0.00           H  
HETATM   43  H7  UNL     1       0.843  -2.269  -2.507  1.00  0.00           H  
HETATM   44  H8  UNL     1      -1.447   1.939   1.173  1.00  0.00           H  
HETATM   45  H9  UNL     1      -4.962  -1.113   1.118  1.00  0.00           H  
HETATM   46  H10 UNL     1      -5.852   1.922  -0.664  1.00  0.00           H  
HETATM   47  H11 UNL     1      -7.266   0.542   1.628  1.00  0.00           H  
HETATM   48  H12 UNL     1      -6.741   2.299   1.659  1.00  0.00           H  
HETATM   49  H13 UNL     1      -7.957   2.334  -0.512  1.00  0.00           H  
HETATM   50  H14 UNL     1      -7.149   0.181  -1.439  1.00  0.00           H  
HETATM   51  H15 UNL     1      -7.698  -1.558  -0.324  1.00  0.00           H  
HETATM   52  H16 UNL     1      -5.327  -0.873  -2.385  1.00  0.00           H  
HETATM   53  H17 UNL     1      -5.807  -2.583  -0.156  1.00  0.00           H  
HETATM   54  H18 UNL     1      -3.491  -1.709  -0.787  1.00  0.00           H  
HETATM   55  H19 UNL     1      -3.687   1.163  -1.134  1.00  0.00           H  
HETATM   56  H20 UNL     1       3.828   2.137   0.126  1.00  0.00           H  
HETATM   57  H21 UNL     1       2.443   2.902   1.576  1.00  0.00           H  
HETATM   58  H22 UNL     1       5.380   1.159   1.416  1.00  0.00           H  
HETATM   59  H23 UNL     1       4.691   0.410   3.318  1.00  0.00           H  
HETATM   60  H24 UNL     1       8.937  -1.381   1.304  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   36
CONECT    3    4    4   37
CONECT    4    5   38
CONECT    5    6   34
CONECT    6    7   32   39
CONECT    7    8
CONECT    8    9   30   40
CONECT    9   10   41   42
CONECT   10   11
CONECT   11   12   12   13   14
CONECT   13   43
CONECT   14   15
CONECT   15   16   16   17   18
CONECT   17   44
CONECT   18   19
CONECT   19   20   28   45
CONECT   20   21
CONECT   21   22   24   46
CONECT   22   23   47   48
CONECT   23   49
CONECT   24   25   26   50
CONECT   25   51
CONECT   26   27   28   52
CONECT   27   53
CONECT   28   29   54
CONECT   29   55
CONECT   30   31   32   56
CONECT   31   57
CONECT   32   33   58
CONECT   33   59
CONECT   34   35   35   36
CONECT   36   60
END

HMDB0000302
     RDKit          3D
Uridine diphosphategalactose
 60 62  0  0  0  0  0  0  0  0999 V2000
    9.8330   -0.9152   -0.9706 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6422   -0.8485   -0.6682 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7193   -0.4994   -1.6192 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3946   -0.4243   -1.2846 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0049   -0.6893   -0.0251 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6205   -0.5634    0.3590 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9263   -0.0830   -0.7720 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7232    0.3413   -0.1287 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7911    0.7647   -1.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5078    0.7030   -0.5355 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2404   -0.6015   -1.4616 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.7528   -0.0550   -2.6908 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0337   -1.7088   -1.7437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3987   -1.2715   -0.4568 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6721   -0.2444    0.8802 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.5748   -0.5082    1.8806 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4161    1.3812    0.3670 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1388   -0.4325    1.5928 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2459   -0.3451    0.7639 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.7868    0.8954    0.7399 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9265    1.0772    0.0439 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.0456    1.4767    1.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1652    1.7041    0.2381 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4474   -0.1536   -0.6549 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.2291   -0.9000    0.2627 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3992   -1.0004   -1.2700 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.7273   -2.3434   -1.0981 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9906   -0.7434   -0.6856 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5036    0.2829   -1.4677 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2884    1.3745    0.7533 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4822    1.8981    1.7147 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4624    0.5659    1.3641 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0520    0.0968    2.5863 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9030   -1.0259    0.8909 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5314   -1.2648    2.0621 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2226   -1.1168    0.6052 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0130   -0.2740   -2.6665 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6174   -0.1617   -2.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2020   -1.5077    0.6829 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3253   -0.5187    0.4752 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7437    0.2356   -2.1227 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8840    1.9025   -1.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8431   -2.2691   -2.5071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4470    1.9392    1.1726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9623   -1.1127    1.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8522    1.9218   -0.6641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2657    0.5416    1.6277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7408    2.2989    1.6595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9567    2.3339   -0.5121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1493    0.1812   -1.4390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6977   -1.5580   -0.3243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3273   -0.8733   -2.3850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8074   -2.5834   -0.1563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4912   -1.7094   -0.7867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6870    1.1631   -1.1337 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8275    2.1367    0.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4432    2.9024    1.5761 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3798    1.1590    1.4159 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6911    0.4097    3.3182 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9371   -1.3810    1.3045 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
  8 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
  5 34  1  0
 34 35  2  0
 34 36  1  0
 36  2  1  0
 32  6  1  0
 28 19  1  0
  3 37  1  0
  4 38  1  0
  6 39  1  1
  8 40  1  1
  9 41  1  0
  9 42  1  0
 13 43  1  0
 17 44  1  0
 19 45  1  1
 21 46  1  6
 22 47  1  0
 22 48  1  0
 23 49  1  0
 24 50  1  6
 25 51  1  0
 26 52  1  6
 27 53  1  0
 28 54  1  1
 29 55  1  0
 30 56  1  6
 31 57  1  0
 32 58  1  1
 33 59  1  0
 36 60  1  0
M  END

Synonyms

Value	Source
UDP Galactose	ChEBI
UDP-alpha-D-Galactopyranose	ChEBI
UDP-D-Galactopyranose	ChEBI
UDP-Galactose	ChEBI
Uridine diphosphate galactose	ChEBI
Uridine diphosphogalactose	ChEBI
Uridine pyrophosphogalactose	ChEBI
Uridinediphosphogalactose	ChEBI
UDP-a-D-Galactopyranose	Generator
UDP-α-D-galactopyranose	Generator
Uridine diphosphoric acid galactose	Generator
GDU	HMDB
UDP-a-D-Galactose	HMDB
UDP-alpha-D-Galactose	HMDB
UDP-D-galactose	HMDB
UDP-D-Galactose	HMDB
UDP-Gal	HMDB
UDP-galactopyranose	HMDB
Udpgal	HMDB, MeSH
UDPgalactose	HMDB
UPG	HMDB
Uridine 5'-(alpha-D-galactopyranosyl pyrophosphate)	HMDB
Uridine 5'-diphosphate galactose	HMDB
Uridine 5'-diphosphogalactose	HMDB
Uridine 5'-pyrophosphate a-D-galactopyranosyl ester	HMDB
Uridine 5'-pyrophosphate a-D-galactosyl ester	HMDB
Uridine 5'-pyrophosphate alpha-D-galactosyl ester	HMDB
Uridine 5'-pyrophosphate D-galactosyl ester	HMDB
Uridine 5'-[3-(D-galactopyranosyl) dihydrogen diphosphate]	HMDB
Uridine diphosphate-D-galactose	HMDB
Uridine diphosphate-galactose	HMDB
Uridine pyrophosphate a-D-galactopyranosyl ester	HMDB
Uridine pyrophosphate alpha-D-galactopyranosyl ester	HMDB
Uridinediphosphate galactose	HMDB
Diphosphate galactose, uridine	MeSH, HMDB
Diphosphogalactose, uridine	MeSH, HMDB
Galactose, UDP	MeSH, HMDB
Galactose, uridine diphosphate	MeSH, HMDB
Pyrophosphogalactose, uridine	MeSH, HMDB
UDP-α-D-Galactose	HMDB
Uridine 5'-(α-D-galactopyranosyl pyrophosphate)	HMDB
Uridine 5’-(α-D-galactopyranosyl pyrophosphate)	HMDB
Uridine 5’-diphosphate galactose	HMDB
Uridine 5’-diphosphogalactose	HMDB

Molecular Formula

C₁₅H₂₄N₂O₁₇P₂

Average Mass

566.3018

Monoisotopic Mass

566.055020376

IUPAC Name

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

Traditional Name

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

CAS Registry Number

2956-16-3

SMILES

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

InChI Identifier

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

InChI Key

HSCJRCZFDFQWRP-ABVWGUQPSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Pyrimidine nucleotides

Sub Class

Pyrimidine nucleotide sugars

Direct Parent

Pyrimidine nucleotide sugars

Alternative Parents

Substituents

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

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

UDP-D-galactose (CHEBI:67119 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	15 g/L	ALOGPS
logP	-1.4	ALOGPS
logP	-5	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Acidic)	1.73	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	291.54 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	106.46 m³·mol⁻¹	ChemAxon
Polarizability	45.42 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-054k-3933570000-89f658b2d26ff158d84c	2017-09-01	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive	splash10-0fk9-4942706000-3a83736296429f83adee	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS ("Uridine diphosphategalactose,1TMS,#1" TMS) - 70eV, Positive	Not Available	2021-10-14	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Negative	splash10-0100-9428070000-ad4101fafd847dad3677	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 40V, Negative	splash10-00b9-9542000000-d123218d2da9e69639c0	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 20V, Negative	splash10-01b9-1019070000-115705199f12c6ee31ce	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Negative	splash10-014i-0000090000-d2ad622dfdfc17d6f2bf	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 35V, Negative	splash10-00di-0009000000-d87f68f0d87b8ad5ad67	2021-09-20	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03di-0901110000-4b81825405869909992e	2017-07-26	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03di-3911000000-6fd09254750e77963110	2017-07-26	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-03di-5900000000-03a2a98eb0aa84737530	2017-07-26	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-03di-4901260000-8396a090c14de7f2d708	2017-07-26	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-01ox-8907020000-94410556a0288cb8167b	2017-07-26	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-06tf-5901000000-10132c85ad33464d4eef	2017-07-26	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-00kr-0000960000-6404d8d944e1ae6f30e2	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-07e1-2322960000-6af539ce21752f9023ba	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-08fr-9732000000-b0c81adc41b1d799e1e8	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-014i-0000090000-8cab8f2bc0fb9e9e8ba9	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-057j-9203870000-d60681ff91f741bdb867	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-001i-3519000000-67ca2f9355ef7f94a47d	2021-09-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, experimental)		2012-12-04	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-29	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)		2012-12-05	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Golgi apparatus

Biospecimen Locations

Feces
Liver
Platelet
Urine

Tissue Locations

Liver
Platelet

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0192038	Beta-1,4-galactosyltransferase 2	Unknown	O60909	Homo sapiens
MMDBp0192039	Alpha-lactalbumin	Enzyme	P00709	Homo sapiens
MMDBp0192044	Beta-1,4-galactosyltransferase 1	Unknown	P15291	Homo sapiens
MMDBp0192121	Procollagen-lysine,2-oxoglutarate 5-dioxygenase 3	Unknown	O60568	Homo sapiens
MMDBp0192492	Lactosylceramide 4-alpha-galactosyltransferase	Enzyme	Q9NPC4	Homo sapiens
MMDBp0192522	UDP-glucose 4-epimerase	Unknown	Q14376	Homo sapiens
MMDBp0192643	Beta-1,4-galactosyltransferase 3	Unknown	O60512	Homo sapiens
MMDBp0192644	Beta-1,4-galactosyltransferase 4	Unknown	O60513	Homo sapiens
MMDBp0192698	Galactose-1-phosphate uridylyltransferase	Unknown	P07902	Homo sapiens
MMDBp0192706	Histo-blood group ABO system transferase	Unknown	P16442	Homo sapiens
MMDBp0192707	2-hydroxyacylsphingosine 1-beta-galactosyltransferase	Enzyme	Q16880	Homo sapiens
MMDBp0192708	Beta-1,3-galactosyltransferase 4	Enzyme	O96024	Homo sapiens
MMDBp0193744	Beta-1,4-galactosyltransferase 7	Unknown	Q9UBV7	Homo sapiens
MMDBp0193896	Beta-1,3-galactosyltransferase 6	Unknown	Q96L58	Homo sapiens
MMDBp0194045	Glycoprotein-N-acetylgalactosamine 3-beta-galactosyltransferase 1	Unknown	Q9NS00	Homo sapiens
MMDBp0194058	Beta-1,4-galactosyltransferase 6	Unknown	Q9UBX8	Homo sapiens
MMDBp0196827	Procollagen galactosyltransferase 1	Unknown	Q8NBJ5
MMDBp0196828	Procollagen galactosyltransferase 2	Unknown	Q8IYK4

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0002310	Uridine diphosphategalactose	Uridine diphosphategalactose	Not Available	UDPgalactose Transport, Golgi Apparatus	VMH	11117433
MMDBr0002311	Uridine diphosphategalactose	Uridine diphosphategalactose	Solute carrier family 35 (udp-galactose transporter), member a2	UDP-Gal Golgi Transport via CMP Antiport	VMH	11784306 8889805 9010752 9399569 9562625
MMDBr0002323	D-Glucose	Hydrogen Ion	Udp-gal:betaglcnac beta 1,4- galactosyltransferase, polypeptide 1	UDPgalactose:D-Glucose 4-Beta-D-Galactosyltransferase, Golgi Apparatus	VMH	30371894
MMDBr0007153	Uridine diphosphategalactose	UDP-D-Galacto-1,4-furanose	Not Available	UDPgalactopyranose mutase	VMH	30371894
MMDBr0007591	Uridine diphosphate glucose	Uridine diphosphategalactose	Not Available	UDPglucose 4-Epimerase	VMH	30371894
MMDBr0007823	Galactose 1-phosphate	Pyrophosphate	Not Available	Galactose-1-Phosphate Uridylyltransferase	VMH	30371894
MMDBr0008055	Galactose 1-phosphate	Glucose 1-phosphate	Not Available	UDPglucose-Hexose-1-Phosphate Uridylyltransferase	VMH	30371894
MMDBr0009110	Uridine diphosphategalactose	Uridine diphosphategalactose	Not Available	UDPgalactose Transport (Nuclear)	VMH	30371894
MMDBr0009111	Uridine diphosphategalactose	Uridine diphosphategalactose	Not Available	UDPgalactose Transport, Endoplasmatic Reticulum	VMH	30371894
MMDBr0009377	Sphingosine	Galactosylsphingosine	Not Available	UDP-Alpha-D-Galactose:Sphingosine 1-Beta-Galactosyltransferase	VMH	30371894
MMDBr0010335	Uridine diphosphategalactose	Uridine diphosphategalactose	Solute carrier family 35 (udp-galactose transporter), member a2	HMR_6385	VMH	30371894
MMDBr0013030	di-trans,octa-cis-undecaprenyl phosphate	alpha-D-galactosyl-di-trans,octa-cis-undecaprenyl diphosphate	Undecaprenyl-phosphate galactose phosphotransferase	Transfer of phosphate group	RHEA	34755880
MMDBr0013276	Galactose 1-phosphate	Glucose 1-phosphate	Galactose-1-phosphate uridylyltransferase	Transfer of an uridylyl group	RHEA	34755880
MMDBr0014178	Uridine diphosphate glucose	Uridine diphosphategalactose	UDP-glucose 4-epimerase	Epimerization	RHEA	34755880
MMDBr0014416	Uridine diphosphategalactose	UDP-D-Galacto-1,4-furanose	UDP-galactopyranose mutase	Intramolecular transfer of functional group	RHEA	34755880
MMDBr0015531	N-acetyl-alpha-D-glucosaminyl-di-trans,octa-cis-undecaprenyl diphosphate	beta-D-Gal-(1->3)-alpha-D-GlcNAc-di-trans,octa-cis-undecaprenyl diphosphate	UDP-Gal:alpha-D-GlcNAc-diphosphoundecaprenol beta-1,3-galactosyltransferase	Transfer of a galactosyl group	RHEA	34755880
MMDBr0015532	N-acetyl-alpha-D-glucosaminyl-di-trans,octa-cis-undecaprenyl diphosphate	beta-D-Gal-(1->4)-alpha-D-GlcNAc-di-trans,octa-cis-undecaprenyl diphosphate	UDP-Gal:alpha-D-GlcNAc-diphosphoundecaprenol beta-1,4-galactosyltransferase	Transfer of a galactosyl group	RHEA	34755880
MMDBr0015535	alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-di-trans,octa-cis-undecaprenyl diphosphate	beta-D-Gal-(1->3)-alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-di-trans,octa-cis-undecaprenyl diphosphate	O-antigen biosynthesis glycosyltransferase WbnJ	Glycosylation	RHEA	34755880
MMDBr0015537	alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-di-trans,octa-cis-undecaprenyl diphosphate	alpha-D-Gal-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->3)-alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-di-trans,octa-cis-undecaprenyl diphosphate	O-antigen biosynthesis glycosyltransferase WbnI	Glycosylation	RHEA	34755880
MMDBr0018394	Uridine diphosphategalactose	Hydrogen Ion	Lipopolysaccharide 1,6-galactosyltransferase	Transfer of a galactosyl group	PathBank	31602464
MMDBr0018431	Galactose 1-phosphate	Uridine diphosphategalactose	Galactose-1-phosphate uridylyltransferase	Transfer of an uridylyl group	PathBank	31602464
MMDBr0019490	Galactose 1-phosphate	Uridine diphosphategalactose	Galactose-1-phosphate uridylyltransferase	Transfer of an uridylyl group	PathBank	31602464
MMDBr0019491	Uridine diphosphategalactose	Uridine diphosphate glucose	Bifunctional protein GAL10		PathBank	31602464
MMDBr0019562	Uridine diphosphategalactose	Galactose 1-phosphate	Galactose-1-phosphate uridylyltransferase	Transfer of an uridylyl group	PathBank	31602464
MMDBr0024395	Uridine diphosphategalactose	Hydrogen Ion	Beta-1,3-galactosyltransferase pvg3	Transfer of a galactosyl group	RHEA	34755880
MMDBr0024492	Uridine diphosphategalactose	Hydrogen Ion	Processive diacylglycerol beta-glycosyltransferase	Glycosylation	RHEA	34755880
MMDBr0024508	Uridine diphosphategalactose	Hydrogen Ion	O-antigen biosynthesis glycosyltransferase WbnJ	Glycosylation	RHEA	34755880
MMDBr0025427	Uridine diphosphategalactose	Hydrogen Ion	Alpha-galactosylglucosyldiacylglycerol synthase	Synthesis	RHEA	34755880
MMDBr0025467	Uridine diphosphategalactose	Hydrogen Ion	Processive diacylglycerol beta-glycosyltransferase	Glycosylation	RHEA	34755880

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	Proteobacteria	203	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human stool; Human feces; pleural fluid plaque; bal; American dog tick ; Human subgingival plaque; Chicken	Unknown; Metabolic reconstruction
Bacteria	Firmicutes	392	Human feces; Human pleural fluid plaque; Pig ; Human sputum; Human ; Human subgingival plaque; Human saliva; Human urine; Human mucosa; Human supragingival plaque; Cattle ; Human stool	Metabolic reconstruction
Bacteria	Actinobacteria	133	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human ; Human supragingival plaque; Human mucosa; Human subgingival plaque; Human saliva	Metabolic reconstruction
Bacteria	Verrucomicrobia	1	Human ; Human feces	Metabolic reconstruction
Bacteria	Bacteroidetes	126	Human feces; Human appendix biopsy; Human ; Human stool; Human saliva; Human gastric fluid; Human urine; Human subgingival plaque; Human supragingival plaque	Metabolic reconstruction
Bacteria	Synergistetes	4	Human feces	Metabolic reconstruction
Bacteria	Spirochaetes	1	Human feces	Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Bacteria	Fusobacteria	20	Human feces; Human	Metabolic reconstruction
Archaea	Euryarchaeota	5		Metabolic reconstruction
Bacteria	Candidatus melainabacteria	1	Human feces	Metabolic reconstruction
Bacteria	Tenericutes	3	Human feces; Human	Metabolic reconstruction
Bacteria	Planctomycetes	1	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1		Metabolic reconstruction
Eukaryota/Fungi	Basidiomycota	2
Eukaryota/Fungi	Ascomycota	7	Human feces
Bacteria	Thermotogae	1
Bacteria/NULL	Proteobacteria	2	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human stool; Human feces; pleural fluid plaque; bal; American dog tick ; Human subgingival plaque; Chicken	Unknown; Metabolic reconstruction
Archaea/Archaea	Euryarchaeota	1		Metabolic reconstruction

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified						HMDB
Human Urine	Detected and Quantified	2.008	umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Normal	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Liver	Detected but not Quantified			Not Specified	Not Specified	Normal	HMDB	34986597
Human Platelet	Detected but not Quantified			Not Specified	Not Specified	Normal	HMDB	34986597

External Links

HMDB ID

HMDB0000302

DrugBank ID

DB03501

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

Not Available

METLIN ID

5291

PubChem Compound

18068

PDB ID

Not Available

ChEBI ID

67119

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Matsukura Y: On the blood group B gene-specified alpha-galactosyltransferase in the serum of the Japanese tortoise (Clemmys japonica). Immunology. 1976 Oct;31(4):571-5. [PubMed:977033 ]
Matsukura Y: Alpha-galactosyltransferase activity in the serum of frogs (Rana catesbeiana). Z Immunitatsforsch Immunobiol. 1976 Nov;152(3):260-5. [PubMed:1087514 ]
Holton JB: Galactose disorders: an overview. J Inherit Metab Dis. 1990;13(4):476-86. doi: 10.1007/BF01799505. [PubMed:2122114 ]
Ng WG, Xu YK, Kaufman FR, Donnell GN: Deficit of uridine diphosphate galactose in galactosaemia. J Inherit Metab Dis. 1989;12(3):257-66. doi: 10.1007/BF01799215. [PubMed:2515367 ]
Segal S: Defective galactosylation in galactosemia: is low cell UDPgalactose an explanation? Eur J Pediatr. 1995;154(7 Suppl 2):S65-71. doi: 10.1007/BF02143806. [PubMed:7671968 ]
Keevill NJ, Holton JB, Allen JT: UDP-glucose and UDP-galactose concentrations in cultured skin fibroblasts of patients with classical galactosaemia. J Inherit Metab Dis. 1994;17(1):23-6. doi: 10.1007/BF00735392. [PubMed:8051935 ]
Hoffmeister KM, Josefsson EC, Isaac NA, Clausen H, Hartwig JH, Stossel TP: Glycosylation restores survival of chilled blood platelets. Science. 2003 Sep 12;301(5639):1531-4. doi: 10.1126/science.1085322. [PubMed:12970565 ]

Showing metabocard for Uridine diphosphategalactose (MMDBc0029495)

MOL for #<Metabolite:0x00007f5a90432910>

3D MOL for #<Metabolite:0x00007f5a90432910>

3D SDF for #<Metabolite:0x00007f5a90432910>

3D-SDF for #<Metabolite:0x00007f5a90432910>

PDB for #<Metabolite:0x00007f5a90432910>

3D PDB for #<Metabolite:0x00007f5a90432910>

SMILES for #<Metabolite:0x00007f5a90432910>

INCHI for #<Metabolite:0x00007f5a90432910>

Structure for #<Metabolite:0x00007f5a90432910>

3D Structure for #<Metabolite:0x00007f5a90432910>