MiMeDB: Showing metabocard for UDP-Glucose (MMDBc0029818)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:42:59 UTC

Update Date

2022-08-31 17:18:47 UTC

Metabolite ID

MMDBc0029818

Metabolite Identification

Common Name

UDP-Glucose

Description

UDP-glucose is key intermediate in carbohydrate metabolism. Serves as a precursor of glycogen, can be metabolized into UDPgalactose and UDPglucuronic acid which can then be incorporated into polysaccharides as galactose and glucuronic acid. Also serves as a precursor of lipopolysaccharides.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652305201900592D          

 36 38  0  0  1  0            999 V2000
   17.1871  -14.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4314  -13.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4505  -12.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2564  -12.3930    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.8516  -13.5182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5875  -11.6374    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.4085  -11.7188    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.5848  -12.5248    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.0049  -12.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7606  -12.6982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3404  -12.8559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.6072  -13.8493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1709  -10.9253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9569  -11.1025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9139  -11.5471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0473  -14.4430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5065  -13.5295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7546  -12.0608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5026  -13.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7391  -13.1152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8727  -12.9414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9769  -11.9349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8649  -12.4192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1305  -12.7951    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   11.7110  -12.8001    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.3546  -13.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6984  -15.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6202  -14.3709    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0057  -15.2669    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5786  -15.1948    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2713  -15.6429    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7140  -16.4794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9275  -13.9229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8442  -15.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2297  -16.4668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3962  -13.1711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  5  1  0  0  0  0
  2 11  1  0  0  0  0
  3 20  1  0  0  0  0
  4  3  1  1  0  0  0
  4  6  1  0  0  0  0
  4 21  1  0  0  0  0
  5 12  2  0  0  0  0
  5 10  1  0  0  0  0
  6 13  1  6  0  0  0
  6  7  1  0  0  0  0
  7 14  1  6  0  0  0
  7  8  1  0  0  0  0
  8 21  1  0  0  0  0
  8 11  1  1  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  2  0  0  0  0
 17 24  1  0  0  0  0
 18 24  2  0  0  0  0
 19 25  2  0  0  0  0
 20 25  1  0  0  0  0
 22 25  1  0  0  0  0
 23 25  1  0  0  0  0
 23 24  1  0  0  0  0
 26 28  1  0  0  0  0
 29 27  1  1  0  0  0
 27 32  1  0  0  0  0
 28 33  1  6  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 34  1  1  0  0  0
 30 31  1  0  0  0  0
 31 35  1  6  0  0  0
 16 29  1  0  0  0  0
 26 16  1  0  0  0  0
 26 36  1  0  0  0  0
 24 36  1  0  0  0  0
M  END


  Mrv1652305201900592D          

 36 38  0  0  1  0            999 V2000
   17.1871  -14.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4314  -13.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4505  -12.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2564  -12.3930    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.8516  -13.5182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5875  -11.6374    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.4085  -11.7188    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.5848  -12.5248    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.0049  -12.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7606  -12.6982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3404  -12.8559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.6072  -13.8493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1709  -10.9253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9569  -11.1025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9139  -11.5471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0473  -14.4430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5065  -13.5295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7546  -12.0608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5026  -13.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7391  -13.1152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8727  -12.9414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9769  -11.9349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8649  -12.4192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1305  -12.7951    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   11.7110  -12.8001    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.3546  -13.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6984  -15.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6202  -14.3709    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0057  -15.2669    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5786  -15.1948    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2713  -15.6429    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7140  -16.4794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9275  -13.9229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8442  -15.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2297  -16.4668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3962  -13.1711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  5  1  0  0  0  0
  2 11  1  0  0  0  0
  3 20  1  0  0  0  0
  4  3  1  1  0  0  0
  4  6  1  0  0  0  0
  4 21  1  0  0  0  0
  5 12  2  0  0  0  0
  5 10  1  0  0  0  0
  6 13  1  6  0  0  0
  6  7  1  0  0  0  0
  7 14  1  6  0  0  0
  7  8  1  0  0  0  0
  8 21  1  0  0  0  0
  8 11  1  1  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  2  0  0  0  0
 17 24  1  0  0  0  0
 18 24  2  0  0  0  0
 19 25  2  0  0  0  0
 20 25  1  0  0  0  0
 22 25  1  0  0  0  0
 23 25  1  0  0  0  0
 23 24  1  0  0  0  0
 26 28  1  0  0  0  0
 29 27  1  1  0  0  0
 27 32  1  0  0  0  0
 28 33  1  6  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 34  1  1  0  0  0
 30 31  1  0  0  0  0
 31 35  1  6  0  0  0
 16 29  1  0  0  0  0
 26 16  1  0  0  0  0
 26 36  1  0  0  0  0
 24 36  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0029818

> <DATABASE_NAME>
MIME

> <SMILES>
OC[C@@H]1OC(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?/m0/s1

> <INCHI_KEY>
HSCJRCZFDFQWRP-LPTOLDDLSA-N

> <FORMULA>
C15H24N2O17P2

> <MOLECULAR_WEIGHT>
566.3018

> <EXACT_MASS>
566.055020376

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
60

> <JCHEM_AVERAGE_POLARIZABILITY>
45.979085089485274

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[({[(2S,3R,4S,5S)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(3S,4R,5R,6S)-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>
106.45579999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.50e+01 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 20-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-MAY-19         0                                  
HETATM    1  C   UNK     0      32.083 -26.146   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      30.672 -25.528   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      25.108 -23.463   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      26.612 -23.134   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      33.323 -25.234   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      27.230 -21.723   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      28.763 -21.875   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      29.092 -23.380   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      31.742 -23.085   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0      33.153 -23.703   0.000  0.00  0.00           N+0
HETATM   11  N   UNK     0      30.502 -23.998   0.000  0.00  0.00           N+0
HETATM   12  O   UNK     0      34.733 -25.852   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      26.452 -20.394   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      29.786 -20.725   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      31.573 -21.555   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      18.755 -26.960   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      19.612 -25.255   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      18.209 -22.513   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      21.472 -25.312   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      23.780 -24.482   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      27.762 -24.157   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      22.357 -22.278   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      20.281 -23.183   0.000  0.00  0.00           O+0
HETATM   24  P   UNK     0      18.910 -23.884   0.000  0.00  0.00           P+0
HETATM   25  P   UNK     0      21.861 -23.894   0.000  0.00  0.00           P+0
HETATM   26  C   UNK     0      17.462 -26.124   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      19.970 -29.335   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      16.091 -26.826   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      18.677 -28.498   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      16.013 -28.364   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      17.306 -29.200   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      19.999 -30.762   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      14.798 -25.989   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      14.643 -29.065   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      17.229 -30.738   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      17.540 -24.586   0.000  0.00  0.00           O+0
CONECT    1    2    5                                                       
CONECT    2    1   11                                                       
CONECT    3   20    4                                                       
CONECT    4    3    6   21                                                  
CONECT    5    1   12   10                                                  
CONECT    6    4   13    7                                                  
CONECT    7    6   14    8                                                  
CONECT    8    7   21   11                                                  
CONECT    9   10   11   15                                                  
CONECT   10    5    9                                                       
CONECT   11    2    8    9                                                  
CONECT   12    5                                                            
CONECT   13    6                                                            
CONECT   14    7                                                            
CONECT   15    9                                                            
CONECT   16   29   26                                                       
CONECT   17   24                                                            
CONECT   18   24                                                            
CONECT   19   25                                                            
CONECT   20    3   25                                                       
CONECT   21    4    8                                                       
CONECT   22   25                                                            
CONECT   23   25   24                                                       
CONECT   24   17   18   23   36                                             
CONECT   25   19   20   22   23                                             
CONECT   26   28   16   36                                                  
CONECT   27   29   32                                                       
CONECT   28   26   33   30                                                  
CONECT   29   27   31   16                                                  
CONECT   30   28   34   31                                                  
CONECT   31   29   30   35                                                  
CONECT   32   27                                                            
CONECT   33   28                                                            
CONECT   34   30                                                            
CONECT   35   31                                                            
CONECT   36   26   24                                                       
MASTER        0    0    0    0    0    0    0    0   36    0   76    0
END

Synonyms

Value	Source
Uridine diphosphoric acid glucose	Generator
Glucose, uridine diphosphate	MeSH
Diphosphate glucose, uridine	MeSH
Glucose, UDP	MeSH
UDPG	MeSH
Diphosphoglucose, uridine	MeSH
Uridine diphosphoglucose	MeSH
UDP Glucose	MeSH
(UDP)Glucose	HMDB
(UPD)-glucose	HMDB
UDP-a-D-Glucose	HMDB
UDP-alpha-D-Glucose	HMDB
UDP-alpha-delta-Glucose	HMDB
UDP-D-Glucose	HMDB
UDP-delta-Glucose	HMDB
UDP-GLC	HMDB
UDP-Glucose	HMDB
UDPglucose	HMDB
Uridine 5'-diphosphate glucose	HMDB
Uridine 5'-diphospho-a-D-glucose	HMDB
Uridine 5'-diphospho-alpha-D-glucose	HMDB
Uridine 5'-diphospho-alpha-delta-glucose	HMDB
Uridine 5'-diphosphoglucose	HMDB
Uridine 5'-pyrophosphate a-D-glucopyranosyl ester	HMDB
Uridine 5'-pyrophosphate a-delta-glucopyranosyl ester	HMDB
Uridine diphosphate-glucose	HMDB
Uridine diphospho-D-glucose	HMDB
Uridine diphospho-delta-glucose	HMDB
Uridine pyrophosphate-glucose	HMDB

Molecular Formula

C₁₅H₂₄N₂O₁₇P₂

Average Mass

566.3018

Monoisotopic Mass

566.055020376

IUPAC Name

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

Traditional Name

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

CAS Registry Number

133-89-1

SMILES

OC[C@@H]1OC(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?/m0/s1

InChI Key

HSCJRCZFDFQWRP-LPTOLDDLSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Pyrimidine nucleotides

Sub Class

Pyrimidine nucleotide sugars

Direct Parent

Pyrimidine nucleotide sugars

Alternative Parents

Substituents

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

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

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	45.98 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	splash10-00di-7542419000-5b7cd6dd9206b30f1209	2017-10-06	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 10V, Negative (Annotated)	splash10-014i-0000090000-1692ab5f5dad1cf7e436	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Negative (Annotated)	splash10-015a-0439510000-69e7cd4c2c365a24706b	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Negative (Annotated)	splash10-0109-5753970000-03f34041208ba93ef87a	2012-07-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03di-0901110000-4b81825405869909992e	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03di-3911000000-6fd09254750e77963110	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-03di-5900000000-03a2a98eb0aa84737530	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-03di-4901260000-8396a090c14de7f2d708	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-01ox-8907020000-94410556a0288cb8167b	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-06tf-5901000000-10132c85ad33464d4eef	2016-09-12	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, experimental)		2012-12-04	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)		2012-12-04	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)		2012-12-05	View Spectrum

Biological Properties

Cellular Locations

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

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Not Available

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	1	Human ; Human feces; Human feces; pleural fluid plaque; bal; Human stool	Unknown

Exposure Sources

Source Type	Source Sub-type	Species	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

HMDB0060079

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Uridine diphosphate glucose

METLIN ID

Not Available

PubChem Compound

53477679

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Haugen HF, Skrede S: Nucleotide pyrophosphatase and phosphodiesterase I. Demonstration of activity in normal serum, and an increase in cholestatic liver disease. Scand J Gastroenterol. 1976;11(2):121-7. [PubMed:4880 ]

Showing metabocard for UDP-Glucose (MMDBc0029818)

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Structure for #<Metabolite:0x00007fece0010958>

3D Structure for #<Metabolite:0x00007fece0010958>