MiMeDB: Showing metabocard for UDP-L-rhamnose (MMDBc0053894)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2022-05-16 21:37:48 UTC

Update Date

2024-04-30 20:50:45 UTC

Metabolite ID

MMDBc0053894

Metabolite Identification

Common Name

UDP-L-rhamnose

Description

UDP-L-rhamnose is synthesized from UDP-D-glucose.

Structure

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


  Mrv1652309042000362D          

 35 37  0  0  0  0            999 V2000
 9996.793510001.7335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.581310001.7253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.0472 9999.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.575910001.1118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.760210000.2884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.4739 9999.8778    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
 9994.1477 9998.6416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.186110000.2884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.0622 9999.1647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.8856 9999.1647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.9087 9999.8901    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10002.620910000.3008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.4949 9999.1770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.3183 9999.1770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.6705 9999.7940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.003110000.2790    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9997.258010001.0636    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9998.083010001.0636    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9998.337910000.2790    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9995.574510000.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.8600 9999.8782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9994.8600 9999.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.5745 9998.6407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.2890 9999.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.2890 9999.8782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10003.3286 9999.8995    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10003.3286 9999.0745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.0431 9998.6619    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10004.7575 9999.0745    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10004.7576 9999.8995    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10004.043110000.3120    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10004.043110001.1370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10005.472110000.3119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10005.4720 9998.6620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.0432 9997.8369    0.0000 C   0  0  0  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 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 17  1  1  6  0  0  0
 18  2  1  6  0  0  0
 19  3  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 20 25  1  0  0  0  0
 24 25  1  0  0  0  0
 16 25  1  1  0  0  0
 20  4  2  0  0  0  0
 22  7  2  0  0  0  0
 26 12  1  6  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 26 31  1  0  0  0  0
 27 28  1  0  0  0  0
 26 27  1  0  0  0  0
 31 32  1  6  0  0  0
 30 33  1  6  0  0  0
 29 34  1  1  0  0  0
 28 35  1  6  0  0  0
M  END

HMDB0012305
     RDKit          3D
UDP-L-rhamnose
 59 61  0  0  0  0  0  0  0  0999 V2000
   -6.7457    2.6162   -0.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4393    1.3010    0.3776 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.1293    1.2084    0.7033 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4877    0.0397    0.4009 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0523    0.1177   -0.9215 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3643    0.1111   -1.0256 P   0  0  0  0  0  5  0  0  0  0  0  0
   -1.9654   -0.0329   -2.4736 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6828   -1.1850   -0.1866 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7262    1.5660   -0.4563 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4350    1.3134    0.5969 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.7772    0.2592    1.6432 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0889    2.7552    1.4116 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9411    0.7904   -0.2052 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1005    1.0310    0.5056 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2596    0.5245   -0.3042 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4880    0.7213    0.3305 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3166   -0.1193   -0.4291 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6485   -0.2091    0.1145 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8753   -0.3857    1.4229 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1870   -0.4603    1.8543 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2458   -0.3572    0.9712 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4406   -0.4190    1.3176 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9734   -0.1815   -0.3255 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6948   -0.1097   -0.7386 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4535    0.0581   -1.9791 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5731   -1.4251   -0.3887 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9170   -2.2731   -1.4211 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1218   -0.9796   -0.4639 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5967   -1.3146   -1.7118 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2553   -1.2141    0.6514 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8378   -2.1628   -0.3017 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7405   -1.0798    0.5174 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.3808   -2.2117    0.0840 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0053    0.1308   -0.3715 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.3875    0.3194   -0.4786 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6231    2.5079   -1.4439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7656    2.9769   -0.0980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0320    3.3673    0.0643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0299    1.3754    1.3384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5692   -0.0052    1.0255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1144   -1.3867    0.6580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1420    3.5278    0.7915 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2325    2.0976    0.7863 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0354    0.4092    1.4406 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3183    1.0288   -1.2798 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3342    0.2656   -1.4578 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0337   -0.4622    2.0835 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3848   -0.6013    2.8964 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7265   -0.0966   -1.0406 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6977   -1.8950    0.6127 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8522   -3.2200   -1.0858 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5086   -1.4203    0.3520 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5429   -0.4758   -2.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0394   -1.6639    1.6428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0421   -2.6745    0.0201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1469   -0.8199    1.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3115   -2.2019    0.4640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5285   -0.0565   -1.3336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6537    0.6804   -1.3630 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  2  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  2  0
 17 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
  4 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 34  2  1  0
 28 15  1  0
 24 18  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  2 39  1  1
  4 40  1  1
  8 41  1  0
 12 42  1  0
 14 43  1  0
 14 44  1  0
 15 45  1  6
 17 46  1  6
 19 47  1  0
 20 48  1  0
 23 49  1  0
 26 50  1  1
 27 51  1  0
 28 52  1  1
 29 53  1  0
 30 54  1  1
 31 55  1  0
 32 56  1  1
 33 57  1  0
 34 58  1  6
 35 59  1  0
M  END


  Mrv1652309042000362D          

 35 37  0  0  0  0            999 V2000
 9996.793510001.7335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.581310001.7253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.0472 9999.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.575910001.1118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.760210000.2884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.4739 9999.8778    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
 9994.1477 9998.6416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.186110000.2884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.0622 9999.1647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.8856 9999.1647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.9087 9999.8901    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10002.620910000.3008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.4949 9999.1770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.3183 9999.1770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.6705 9999.7940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.003110000.2790    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9997.258010001.0636    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9998.083010001.0636    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9998.337910000.2790    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9995.574510000.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.8600 9999.8782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9994.8600 9999.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.5745 9998.6407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.2890 9999.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.2890 9999.8782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10003.3286 9999.8995    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10003.3286 9999.0745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.0431 9998.6619    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10004.7575 9999.0745    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10004.7576 9999.8995    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10004.043110000.3120    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10004.043110001.1370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10005.472110000.3119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10005.4720 9998.6620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.0432 9997.8369    0.0000 C   0  0  0  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 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 17  1  1  6  0  0  0
 18  2  1  6  0  0  0
 19  3  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 20 25  1  0  0  0  0
 24 25  1  0  0  0  0
 16 25  1  1  0  0  0
 20  4  2  0  0  0  0
 22  7  2  0  0  0  0
 26 12  1  6  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 26 31  1  0  0  0  0
 27 28  1  0  0  0  0
 26 27  1  0  0  0  0
 31 32  1  6  0  0  0
 30 33  1  6  0  0  0
 29 34  1  1  0  0  0
 28 35  1  6  0  0  0
M  END
> <DATABASE_ID>
MMDBc0053894

> <DATABASE_NAME>
MIME

> <SMILES>
C[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/C15H24N2O16P2/c1-5-8(19)10(21)12(23)14(30-5)32-35(27,28)33-34(25,26)29-4-6-9(20)11(22)13(31-6)17-3-2-7(18)16-15(17)24/h2-3,5-6,8-14,19-23H,4H2,1H3,(H,25,26)(H,27,28)(H,16,18,24)/t5-,6+,8-,9+,10+,11+,12+,13+,14+/m0/s1

> <INCHI_KEY>
DRDCJEIZVLVWNC-SLBWPEPYSA-N

> <FORMULA>
C15H24N2O16P2

> <MOLECULAR_WEIGHT>
550.3024

> <EXACT_MASS>
550.060105754

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
59

> <JCHEM_AVERAGE_POLARIZABILITY>
45.69531907668094

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}({[hydroxy({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})phosphoryl]oxy})phosphinic acid

> <ALOGPS_LOGP>
-1.19

> <JCHEM_LOGP>
-3.582197307666667

> <ALOGPS_LOGS>
-1.55

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.1763143727895122

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7326082816637296

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6122141796192597

> <JCHEM_POLAR_SURFACE_AREA>
274.8

> <JCHEM_REFRACTIVITY>
105.23379999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.54e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy([hydroxy([(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy)phosphoryl]oxy)phosphinic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0012305
     RDKit          3D
UDP-L-rhamnose
 59 61  0  0  0  0  0  0  0  0999 V2000
   -6.7457    2.6162   -0.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4393    1.3010    0.3776 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.1293    1.2084    0.7033 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4877    0.0397    0.4009 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0523    0.1177   -0.9215 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3643    0.1111   -1.0256 P   0  0  0  0  0  5  0  0  0  0  0  0
   -1.9654   -0.0329   -2.4736 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6828   -1.1850   -0.1866 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7262    1.5660   -0.4563 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4350    1.3134    0.5969 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.7772    0.2592    1.6432 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0889    2.7552    1.4116 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9411    0.7904   -0.2052 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1005    1.0310    0.5056 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2596    0.5245   -0.3042 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4880    0.7213    0.3305 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3166   -0.1193   -0.4291 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6485   -0.2091    0.1145 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8753   -0.3857    1.4229 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1870   -0.4603    1.8543 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2458   -0.3572    0.9712 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4406   -0.4190    1.3176 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9734   -0.1815   -0.3255 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6948   -0.1097   -0.7386 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4535    0.0581   -1.9791 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5731   -1.4251   -0.3887 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9170   -2.2731   -1.4211 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1218   -0.9796   -0.4639 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5967   -1.3146   -1.7118 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2553   -1.2141    0.6514 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8378   -2.1628   -0.3017 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7405   -1.0798    0.5174 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.3808   -2.2117    0.0840 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0053    0.1308   -0.3715 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.3875    0.3194   -0.4786 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6231    2.5079   -1.4439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7656    2.9769   -0.0980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0320    3.3673    0.0643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0299    1.3754    1.3384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5692   -0.0052    1.0255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1144   -1.3867    0.6580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1420    3.5278    0.7915 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2325    2.0976    0.7863 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0354    0.4092    1.4406 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3183    1.0288   -1.2798 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3342    0.2656   -1.4578 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0337   -0.4622    2.0835 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3848   -0.6013    2.8964 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7265   -0.0966   -1.0406 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6977   -1.8950    0.6127 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8522   -3.2200   -1.0858 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5086   -1.4203    0.3520 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5429   -0.4758   -2.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0394   -1.6639    1.6428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0421   -2.6745    0.0201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1469   -0.8199    1.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3115   -2.2019    0.4640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5285   -0.0565   -1.3336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6537    0.6804   -1.3630 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  2  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  2  0
 17 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
  4 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 34  2  1  0
 28 15  1  0
 24 18  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  2 39  1  1
  4 40  1  1
  8 41  1  0
 12 42  1  0
 14 43  1  0
 14 44  1  0
 15 45  1  6
 17 46  1  6
 19 47  1  0
 20 48  1  0
 23 49  1  0
 26 50  1  1
 27 51  1  0
 28 52  1  1
 29 53  1  0
 30 54  1  1
 31 55  1  0
 32 56  1  1
 33 57  1  0
 34 58  1  6
 35 59  1  0
M  END

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  O   UNK     0    8660.6818669.903   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0    8664.0188669.887   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0    8664.8888666.439   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0    8658.4088668.742   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0    8666.2198667.205   0.000  0.00  0.00           O+0
HETATM    6  P   UNK     0    8667.5518666.439   0.000  0.00  0.00           P+0
HETATM    7  O   UNK     0    8655.7428664.131   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0    8668.8818667.205   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0    8666.7838665.107   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0    8668.3208665.107   0.000  0.00  0.00           O+0
HETATM   11  P   UNK     0    8670.2308666.462   0.000  0.00  0.00           P+0
HETATM   12  O   UNK     0    8671.5598667.228   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0    8669.4578665.130   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0    8670.9948665.130   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0    8662.3188666.282   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0    8661.0728667.187   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8661.5488668.652   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8663.0888668.652   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8663.5648667.187   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8658.4068667.209   0.000  0.00  0.00           C+0
HETATM   21  N   UNK     0    8657.0728666.439   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0    8657.0728664.899   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0    8658.4068664.129   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0    8659.7398664.899   0.000  0.00  0.00           C+0
HETATM   25  N   UNK     0    8659.7398666.439   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0    8672.8808666.479   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0    8672.8808664.939   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0    8674.2148664.169   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0    8675.5478664.939   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0    8675.5488666.479   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0    8674.2148667.249   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0    8674.2148668.789   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0    8676.8818667.249   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0    8676.8818664.169   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0    8674.2148662.629   0.000  0.00  0.00           C+0
CONECT    1   17                                                            
CONECT    2   18                                                            
CONECT    3    5   19                                                       
CONECT    4   20                                                            
CONECT    5    3    6                                                       
CONECT    6    5    8    9   10                                             
CONECT    7   22                                                            
CONECT    8    6   11                                                       
CONECT    9    6                                                            
CONECT   10    6                                                            
CONECT   11    8   12   13   14                                             
CONECT   12   11   26                                                       
CONECT   13   11                                                            
CONECT   14   11                                                            
CONECT   15   16   19                                                       
CONECT   16   17   15   25                                                  
CONECT   17   16   18    1                                                  
CONECT   18   17   19    2                                                  
CONECT   19   18   15    3                                                  
CONECT   20   21   25    4                                                  
CONECT   21   20   22                                                       
CONECT   22   23   21    7                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   20   24   16                                                  
CONECT   26   12   31   27                                                  
CONECT   27   28   26                                                       
CONECT   28   29   27   35                                                  
CONECT   29   28   30   34                                                  
CONECT   30   29   31   33                                                  
CONECT   31   30   26   32                                                  
CONECT   32   31                                                            
CONECT   33   30                                                            
CONECT   34   29                                                            
CONECT   35   28                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   74    0
END

COMPND    HMDB0012305
HETATM    1  C1  UNL     1      -6.746   2.616  -0.351  1.00  0.00           C  
HETATM    2  C2  UNL     1      -6.439   1.301   0.378  1.00  0.00           C  
HETATM    3  O1  UNL     1      -5.129   1.208   0.703  1.00  0.00           O  
HETATM    4  C3  UNL     1      -4.488   0.040   0.401  1.00  0.00           C  
HETATM    5  O2  UNL     1      -4.052   0.118  -0.922  1.00  0.00           O  
HETATM    6  P1  UNL     1      -2.364   0.111  -1.026  1.00  0.00           P  
HETATM    7  O3  UNL     1      -1.965  -0.033  -2.474  1.00  0.00           O  
HETATM    8  O4  UNL     1      -1.683  -1.185  -0.187  1.00  0.00           O  
HETATM    9  O5  UNL     1      -1.726   1.566  -0.456  1.00  0.00           O  
HETATM   10  P2  UNL     1      -0.435   1.313   0.597  1.00  0.00           P  
HETATM   11  O6  UNL     1      -0.777   0.259   1.643  1.00  0.00           O  
HETATM   12  O7  UNL     1      -0.089   2.755   1.412  1.00  0.00           O  
HETATM   13  O8  UNL     1       0.941   0.790  -0.205  1.00  0.00           O  
HETATM   14  C4  UNL     1       2.101   1.031   0.506  1.00  0.00           C  
HETATM   15  C5  UNL     1       3.260   0.524  -0.304  1.00  0.00           C  
HETATM   16  O9  UNL     1       4.488   0.721   0.331  1.00  0.00           O  
HETATM   17  C6  UNL     1       5.317  -0.119  -0.429  1.00  0.00           C  
HETATM   18  N1  UNL     1       6.648  -0.209   0.115  1.00  0.00           N  
HETATM   19  C7  UNL     1       6.875  -0.386   1.423  1.00  0.00           C  
HETATM   20  C8  UNL     1       8.187  -0.460   1.854  1.00  0.00           C  
HETATM   21  C9  UNL     1       9.246  -0.357   0.971  1.00  0.00           C  
HETATM   22  O10 UNL     1      10.441  -0.419   1.318  1.00  0.00           O  
HETATM   23  N2  UNL     1       8.973  -0.182  -0.325  1.00  0.00           N  
HETATM   24  C10 UNL     1       7.695  -0.110  -0.739  1.00  0.00           C  
HETATM   25  O11 UNL     1       7.453   0.058  -1.979  1.00  0.00           O  
HETATM   26  C11 UNL     1       4.573  -1.425  -0.389  1.00  0.00           C  
HETATM   27  O12 UNL     1       4.917  -2.273  -1.421  1.00  0.00           O  
HETATM   28  C12 UNL     1       3.122  -0.980  -0.464  1.00  0.00           C  
HETATM   29  O13 UNL     1       2.597  -1.315  -1.712  1.00  0.00           O  
HETATM   30  C13 UNL     1      -5.255  -1.214   0.651  1.00  0.00           C  
HETATM   31  O14 UNL     1      -4.838  -2.163  -0.302  1.00  0.00           O  
HETATM   32  C14 UNL     1      -6.740  -1.080   0.517  1.00  0.00           C  
HETATM   33  O15 UNL     1      -7.381  -2.212   0.084  1.00  0.00           O  
HETATM   34  C15 UNL     1      -7.005   0.131  -0.371  1.00  0.00           C  
HETATM   35  O16 UNL     1      -8.388   0.319  -0.479  1.00  0.00           O  
HETATM   36  H1  UNL     1      -6.623   2.508  -1.444  1.00  0.00           H  
HETATM   37  H2  UNL     1      -7.766   2.977  -0.098  1.00  0.00           H  
HETATM   38  H3  UNL     1      -6.032   3.367   0.064  1.00  0.00           H  
HETATM   39  H4  UNL     1      -7.030   1.375   1.338  1.00  0.00           H  
HETATM   40  H5  UNL     1      -3.569  -0.005   1.026  1.00  0.00           H  
HETATM   41  H6  UNL     1      -2.114  -1.387   0.658  1.00  0.00           H  
HETATM   42  H7  UNL     1      -0.142   3.528   0.791  1.00  0.00           H  
HETATM   43  H8  UNL     1       2.232   2.098   0.786  1.00  0.00           H  
HETATM   44  H9  UNL     1       2.035   0.409   1.441  1.00  0.00           H  
HETATM   45  H10 UNL     1       3.318   1.029  -1.280  1.00  0.00           H  
HETATM   46  H11 UNL     1       5.334   0.266  -1.458  1.00  0.00           H  
HETATM   47  H12 UNL     1       6.034  -0.462   2.084  1.00  0.00           H  
HETATM   48  H13 UNL     1       8.385  -0.601   2.896  1.00  0.00           H  
HETATM   49  H14 UNL     1       9.727  -0.097  -1.041  1.00  0.00           H  
HETATM   50  H15 UNL     1       4.698  -1.895   0.613  1.00  0.00           H  
HETATM   51  H16 UNL     1       4.852  -3.220  -1.086  1.00  0.00           H  
HETATM   52  H17 UNL     1       2.509  -1.420   0.352  1.00  0.00           H  
HETATM   53  H18 UNL     1       2.543  -0.476  -2.236  1.00  0.00           H  
HETATM   54  H19 UNL     1      -5.039  -1.664   1.643  1.00  0.00           H  
HETATM   55  H20 UNL     1      -4.042  -2.674   0.020  1.00  0.00           H  
HETATM   56  H21 UNL     1      -7.147  -0.820   1.529  1.00  0.00           H  
HETATM   57  H22 UNL     1      -8.311  -2.202   0.464  1.00  0.00           H  
HETATM   58  H23 UNL     1      -6.529  -0.056  -1.334  1.00  0.00           H  
HETATM   59  H24 UNL     1      -8.654   0.680  -1.363  1.00  0.00           H  
CONECT    1    2   36   37   38
CONECT    2    3   34   39
CONECT    3    4
CONECT    4    5   30   40
CONECT    5    6
CONECT    6    7    7    8    9
CONECT    8   41
CONECT    9   10
CONECT   10   11   11   12   13
CONECT   12   42
CONECT   13   14
CONECT   14   15   43   44
CONECT   15   16   28   45
CONECT   16   17
CONECT   17   18   26   46
CONECT   18   19   24
CONECT   19   20   20   47
CONECT   20   21   48
CONECT   21   22   22   23
CONECT   23   24   49
CONECT   24   25   25
CONECT   26   27   28   50
CONECT   27   51
CONECT   28   29   52
CONECT   29   53
CONECT   30   31   32   54
CONECT   31   55
CONECT   32   33   34   56
CONECT   33   57
CONECT   34   35   58
CONECT   35   59
END

HMDB0012305
     RDKit          3D
UDP-L-rhamnose
 59 61  0  0  0  0  0  0  0  0999 V2000
   -6.7457    2.6162   -0.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4393    1.3010    0.3776 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.1293    1.2084    0.7033 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4877    0.0397    0.4009 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0523    0.1177   -0.9215 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3643    0.1111   -1.0256 P   0  0  0  0  0  5  0  0  0  0  0  0
   -1.9654   -0.0329   -2.4736 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0889    2.7552    1.4116 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2596    0.5245   -0.3042 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.8753   -0.3857    1.4229 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1870   -0.4603    1.8543 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2458   -0.3572    0.9712 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9734   -0.1815   -0.3255 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6948   -0.1097   -0.7386 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4535    0.0581   -1.9791 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5731   -1.4251   -0.3887 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9170   -2.2731   -1.4211 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1218   -0.9796   -0.4639 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5967   -1.3146   -1.7118 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2553   -1.2141    0.6514 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8378   -2.1628   -0.3017 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7405   -1.0798    0.5174 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.3808   -2.2117    0.0840 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0053    0.1308   -0.3715 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.3875    0.3194   -0.4786 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6231    2.5079   -1.4439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7656    2.9769   -0.0980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0320    3.3673    0.0643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0299    1.3754    1.3384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5692   -0.0052    1.0255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1144   -1.3867    0.6580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1420    3.5278    0.7915 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2325    2.0976    0.7863 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0354    0.4092    1.4406 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3183    1.0288   -1.2798 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3342    0.2656   -1.4578 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0337   -0.4622    2.0835 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3848   -0.6013    2.8964 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7265   -0.0966   -1.0406 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6977   -1.8950    0.6127 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8522   -3.2200   -1.0858 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5086   -1.4203    0.3520 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5429   -0.4758   -2.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0394   -1.6639    1.6428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0421   -2.6745    0.0201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1469   -0.8199    1.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3115   -2.2019    0.4640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5285   -0.0565   -1.3336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6537    0.6804   -1.3630 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  2  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
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 20 21  1  0
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 23 24  1  0
 24 25  2  0
 17 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
  4 30  1  0
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 24 18  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  2 39  1  1
  4 40  1  1
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 32 56  1  1
 33 57  1  0
 34 58  1  6
 35 59  1  0
M  END

Synonyms

Value	Source
Uridine 5'-(trihydrogen diphosphate), mono(6-deoxy-beta-L-mannopyranosyl) ester	ChEBI
Uridine 5'-(trihydrogen diphosphate), mono(6-deoxy-b-L-mannopyranosyl) ester	Generator
Uridine 5'-(trihydrogen diphosphate), mono(6-deoxy-β-L-mannopyranosyl) ester	Generator
Uridine 5'-(trihydrogen diphosphoric acid), mono(6-deoxy-b-L-mannopyranosyl) ester	Generator
Uridine 5'-(trihydrogen diphosphoric acid), mono(6-deoxy-beta-L-mannopyranosyl) ester	Generator
Uridine 5'-(trihydrogen diphosphoric acid), mono(6-deoxy-β-L-mannopyranosyl) ester	Generator
Galactose-uridine-5'-diphosphate	HMDB
GDU	HMDB
Glucose-uridine-C1,5'-diphosphate	HMDB
UDP Galactose	HMDB
UDP-alpha-D-Galactose	HMDB
UDP-D-Galactopyranose	HMDB
UDP-D-Galactose	HMDB
UDP-Gal	HMDB
UDP-Galactopyranose	HMDB
UDP-Galactose	HMDB
Udpgal	HMDB
UPG	HMDB
Uridine 5'-diphosphate galactose	HMDB
Uridine 5'-diphosphogalactose	HMDB
Uridine diphosphate galactose	HMDB
Uridine diphosphate-D-galactose	HMDB
Uridine diphosphogalactose	HMDB
Uridine pyrophosphogalactose	HMDB
Uridine-5'-diphosphate-mannose	HMDB
Uridine-5'-monophosphate glucopyranosyl-monophosphateester	HMDB
Uridinediphosphate galactose	HMDB
Uridinediphosphogalactose	HMDB
UDP-beta-L-Rhamnose	MeSH, HMDB
UDP-b-L-Rhamnose	Generator
UDP-Β-L-rhamnose	Generator
UDP-Rha	MeSH
UDP-Rhamnose	MeSH

Molecular Formula

C₁₅H₂₄N₂O₁₆P₂

Average Mass

550.3024

Monoisotopic Mass

550.060105754

IUPAC Name

{[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}({[hydroxy({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})phosphoryl]oxy})phosphinic acid

Traditional Name

[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy([hydroxy([(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy)phosphoryl]oxy)phosphinic acid

CAS Registry Number

Not Available

SMILES

C[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/C15H24N2O16P2/c1-5-8(19)10(21)12(23)14(30-5)32-35(27,28)33-34(25,26)29-4-6-9(20)11(22)13(31-6)17-3-2-7(18)16-15(17)24/h2-3,5-6,8-14,19-23H,4H2,1H3,(H,25,26)(H,27,28)(H,16,18,24)/t5-,6+,8-,9+,10+,11+,12+,13+,14+/m0/s1

InChI Key

DRDCJEIZVLVWNC-SLBWPEPYSA-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
Monoalkyl phosphate
Pyrimidone
Hydropyrimidine
Alkyl phosphate
Monosaccharide
Organic phosphoric acid derivative
Pyrimidine
Oxane
Phosphoric acid ester
Vinylogous amide
Tetrahydrofuran
Heteroaromatic compound
Lactam
Urea
Secondary alcohol
Azacycle
Oxacycle
Organoheterocyclic compound
Polyol
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Alcohol
Organic oxygen compound
Organopnictogen compound
Organic oxide
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

UDP-L-rhamnose (CHEBI:84725 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	15.4 g/L	ALOGPS
logP	-1.2	ALOGPS
logP	-3.6	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	8	ChemAxon
Polar Surface Area	274.8 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	105.23 m³·mol⁻¹	ChemAxon
Polarizability	45.7 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

Not Available

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0194058	Beta-1,4-galactosyltransferase 6	Unknown	Q9UBX8	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

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
Eukaryota/Fungi	Basidiomycota	8	Human feces
Eukaryota/Fungi	Ascomycota	2

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

HMDB0012305

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB028928

KNApSAcK ID

Not Available

Chemspider ID

167268

KEGG Compound ID

C02199

BioCyc ID

UDP-L-RHAMNOSE

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

192751

PDB ID

Not Available

ChEBI ID

84725

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Chatterjee S, Castiglione E: UDPgalactose:glucosylceramide beta 1----4-galactosyltransferase activity in human proximal tubular cells from normal and familial hypercholesterolemic homozygotes. Biochim Biophys Acta. 1987 Jan 20;923(1):136-42. doi: 10.1016/0304-4165(87)90136-x. [PubMed:3099851 ]
Bornemann S: Flavoenzymes that catalyse reactions with no net redox change. Nat Prod Rep. 2002 Dec;19(6):761-72. doi: 10.1039/b108916c. [PubMed:12521268 ]
Majumdar S, Ghatak J, Mukherji S, Bhattacharjee H, Bhaduri A: UDPgalactose 4-epimerase from Saccharomyces cerevisiae. A bifunctional enzyme with aldose 1-epimerase activity. Eur J Biochem. 2004 Feb;271(4):753-9. doi: 10.1111/j.1432-1033.2003.03974.x. [PubMed:14764091 ]
Qi Y, Yamauchi Y, Ling J, Kawano N, Li D, Tanaka K: Cloning of a putative monogalactosyldiacylglycerol synthase gene from rice (Oryza sativa L.) plants and its expression in response to submergence and other stresses. Planta. 2004 Jul;219(3):450-8. doi: 10.1007/s00425-004-1245-2. Epub 2004 Apr 16. [PubMed:15088147 ]
Nakahara Y, Okamoto K: Unusual properties of the prespore-specific enzyme, UDPgalactose:polysaccharide galactosyl transferase, of Dictyostelium discoideum. J Basic Microbiol. 2004;44(6):459-70. doi: 10.1002/jobm.200410380. [PubMed:15558817 ]
Agarwal S, Mishra N, Agarwal S, Dixit A: Characterization of the active site and coenzyme binding pocket of the monomeric UDP- galactose 4'- epimerase of Aeromonas hydrophila. BMB Rep. 2010 Jun;43(6):419-26. doi: 10.5483/bmbrep.2010.43.6.419. [PubMed:20587332 ]
Sharma A, Malakar P: Structure modeling and comparative genomics for epimerase enzyme (Gal10p). Bioinformation. 2010 Nov 27;5(6):266-70. doi: 10.6026/97320630005266. [PubMed:21364830 ]
Berry GT: Galactosemia: when is it a newborn screening emergency? Mol Genet Metab. 2012 May;106(1):7-11. doi: 10.1016/j.ymgme.2012.03.007. Epub 2012 Mar 21. [PubMed:22483615 ]

Showing metabocard for UDP-L-rhamnose (MMDBc0053894)

MOL for #<Metabolite:0x00007f92514c0c30>

3D MOL for #<Metabolite:0x00007f92514c0c30>

3D SDF for #<Metabolite:0x00007f92514c0c30>

3D-SDF for #<Metabolite:0x00007f92514c0c30>

PDB for #<Metabolite:0x00007f92514c0c30>

3D PDB for #<Metabolite:0x00007f92514c0c30>

SMILES for #<Metabolite:0x00007f92514c0c30>

INCHI for #<Metabolite:0x00007f92514c0c30>

Structure for #<Metabolite:0x00007f92514c0c30>

3D Structure for #<Metabolite:0x00007f92514c0c30>