MiMeDB: Showing metabocard for UDP-Œ±-D-galactose (MMDBc0032145)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-18 02:04:14 UTC

Update Date

2022-08-31 18:30:52 UTC

Metabolite ID

MMDBc0032145

Metabolite Identification

Common Name

UDP-Œ±-D-galactose

Description

UDP-Œ±-D-galactose (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 SDF PDB SMILES InChI


  Mrv1533005261512152D          

 36 38  0  0  0  0            999 V2000
   -0.1043    5.4759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1043    4.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8188    4.2384    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8188    3.4134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    3.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    2.1759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8188    1.7634    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2313    1.0489    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4063    2.4778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1043    1.3509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1043    0.5259    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9293    0.5259    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7206    0.5259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1043   -0.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6100   -0.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6100   -1.5365    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2775   -2.0215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0225   -2.8061    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1975   -2.8061    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2873   -3.4735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0573   -2.0215    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8419   -1.7665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5075   -3.4735    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3279   -3.3873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8129   -4.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4773   -4.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9622   -5.4759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6568   -4.8946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1719   -4.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3514   -4.3134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2478    3.4134    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9622    3.0009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2478    4.2384    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9622    4.6509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    4.6509    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5333    5.4759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 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
 14 15  1  0  0  0  0
 16 15  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  6  0  0  0
 19 21  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  6  0  0  0
 18 23  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 23 29  1  0  0  0  0
 29 30  2  0  0  0  0
  5 31  1  0  0  0  0
 31 32  1  6  0  0  0
 31 33  1  0  0  0  0
 33 34  1  1  0  0  0
 33 35  1  0  0  0  0
  3 35  1  0  0  0  0
 35 36  1  1  0  0  0
M  CHG  2   8  -1  12  -1
M  END


  Mrv1533005261512152D          

 36 38  0  0  0  0            999 V2000
   -0.1043    5.4759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1043    4.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8188    4.2384    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8188    3.4134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    3.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    2.1759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8188    1.7634    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2313    1.0489    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4063    2.4778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1043    1.3509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1043    0.5259    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9293    0.5259    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7206    0.5259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1043   -0.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6100   -0.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6100   -1.5365    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2775   -2.0215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0225   -2.8061    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1975   -2.8061    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2873   -3.4735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0573   -2.0215    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8419   -1.7665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5075   -3.4735    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3279   -3.3873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8129   -4.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4773   -4.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9622   -5.4759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6568   -4.8946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1719   -4.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3514   -4.3134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2478    3.4134    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9622    3.0009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2478    4.2384    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9622    4.6509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    4.6509    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5333    5.4759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 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
 14 15  1  0  0  0  0
 16 15  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  6  0  0  0
 19 21  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  6  0  0  0
 18 23  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 23 29  1  0  0  0  0
 29 30  2  0  0  0  0
  5 31  1  0  0  0  0
 31 32  1  6  0  0  0
 31 33  1  0  0  0  0
 33 34  1  1  0  0  0
 33 35  1  0  0  0  0
  3 35  1  0  0  0  0
 35 36  1  1  0  0  0
M  CHG  2   8  -1  12  -1
M  END
> <DATABASE_ID>
MMDBc0032145

> <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)/p-2/t5-,6-,8+,9-,10+,11-,12-,13-,14?/m1/s1

> <INCHI_KEY>
HSCJRCZFDFQWRP-LNYDKVEPSA-L

> <FORMULA>
C15H22N2O17P2

> <MOLECULAR_WEIGHT>
564.287

> <EXACT_MASS>
564.040468412

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
58

> <JCHEM_AVERAGE_POLARIZABILITY>
45.62823542195545

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
-2

> <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]methyl {[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl phosphonato]oxy}phosphonate

> <ALOGPS_LOGP>
-1.58

> <JCHEM_LOGP>
-4.996608078666667

> <ALOGPS_LOGS>
-1.24

> <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>
297.2

> <JCHEM_REFRACTIVITY>
104.21240000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.49e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
udp-D-galactose(2-)

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 26-MAY-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-MAY-15         0                                  
HETATM    1  O   UNK     0      -0.195  10.222   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -0.195   8.682   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.528   7.912   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -1.528   6.372   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -2.862   5.602   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -2.862   4.062   0.000  0.00  0.00           O+0
HETATM    7  P   UNK     0      -1.528   3.292   0.000  0.00  0.00           P+0
HETATM    8  O   UNK     0      -2.298   1.958   0.000  0.00  0.00           O-1
HETATM    9  O   UNK     0      -0.758   4.625   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      -0.195   2.522   0.000  0.00  0.00           O+0
HETATM   11  P   UNK     0      -0.195   0.982   0.000  0.00  0.00           P+0
HETATM   12  O   UNK     0      -1.735   0.982   0.000  0.00  0.00           O-1
HETATM   13  O   UNK     0       1.345   0.982   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      -0.195  -0.558   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       1.139  -1.328   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.139  -2.868   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       2.385  -3.773   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       1.909  -5.238   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.369  -5.238   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -0.536  -6.484   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -0.107  -3.773   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -1.572  -3.297   0.000  0.00  0.00           O+0
HETATM   23  N   UNK     0       2.814  -6.484   0.000  0.00  0.00           N+0
HETATM   24  C   UNK     0       4.345  -6.323   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       5.251  -7.569   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.624  -8.976   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       5.529 -10.222   0.000  0.00  0.00           O+0
HETATM   28  N   UNK     0       3.093  -9.137   0.000  0.00  0.00           N+0
HETATM   29  C   UNK     0       2.188  -7.891   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       0.656  -8.052   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      -4.196   6.372   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -5.529   5.602   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      -4.196   7.912   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      -5.529   8.682   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      -2.862   8.682   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      -2.862  10.222   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   35                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   31                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9   10                                             
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    7   11                                                       
CONECT   11   10   12   13   14                                             
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14   11   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   21                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   23                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   16   22                                                  
CONECT   22   21                                                            
CONECT   23   18   24   29                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28   23   30                                                  
CONECT   30   29                                                            
CONECT   31    5   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33    3   36                                                  
CONECT   36   35                                                            
MASTER        0    0    0    0    0    0    0    0   36    0   76    0
END

Synonyms

Value	Source
UDP-D-Galactose	ChEBI
UDP-D-Galactose dianion	ChEBI

Molecular Formula

C₁₅H₂₂N₂O₁₇P₂

Average Mass

564.287

Monoisotopic Mass

564.040468412

IUPAC Name

[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl {[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl phosphonato]oxy}phosphonate

Traditional Name

udp-D-galactose(2-)

CAS Registry Number

Not Available

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)/p-2/t5-,6-,8+,9-,10+,11-,12-,13-,14?/m1/s1

InChI Key

HSCJRCZFDFQWRP-LNYDKVEPSA-L

Chemical Taxonomy

Description

This compound 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
Pyrimidine nucleoside
Glycosyl compound
N-glycosyl compound
Monosaccharide phosphate
Organic pyrophosphate
Monoalkyl phosphate
Pyrimidone
Hydropyrimidine
Monosaccharide
Organic phosphate
Organic phosphoric acid derivative
Phosphoric acid ester
Alkyl phosphate
Pyrimidine
Tetrahydrofuran
Heteroaromatic compound
1,2-diol
Secondary alcohol
Organoheterocyclic compound
Azacycle
Oxacycle
Polyol
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Organic oxide
Alcohol
Primary alcohol
Organic anion
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

nucleotide-sugar oxoanion (CHEBI:58439 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	34.9 g/L	ALOGPS
logP	-1.6	ALOGPS
logP	-5	ChemAxon
logS	-1.2	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	7	ChemAxon
Polar Surface Area	297.2 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	104.21 m³·mol⁻¹	ChemAxon
Polarizability	45.63 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 LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-014i-1400090000-b1f18cb68f27ec92d955	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-052f-1260090000-30363a1273097f52e6b4	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-06r7-9600000000-665d798997fc9736f82c	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-03di-3200090000-bf97c1b407ff587d600e	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0006-9400030000-fdcd5b4db30c818f992b	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0006-9200000000-2a92568d38b6aea66ccc	2015-09-15	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-22	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

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

26331177

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

44229096

PDB ID

Not Available

ChEBI ID

58439

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Sajed T, Marcu A, Ramirez M, Pon A, Guo AC, Knox C, Wilson M, Grant JR, Djoumbou Y, Wishart DS: ECMDB 2.0: A richer resource for understanding the biochemistry of E. coli. Nucleic Acids Res. 2016 Jan 4;44(D1):D495-501. doi: 10.1093/nar/gkv1060. Epub 2015 Oct 19. [PubMed:26481353 ]

Showing metabocard for UDP-Œ±-D-galactose (MMDBc0032145)

MOL for #<Metabolite:0x00007fecb1549160>

3D MOL for #<Metabolite:0x00007fecb1549160>

3D SDF for #<Metabolite:0x00007fecb1549160>

3D-SDF for #<Metabolite:0x00007fecb1549160>

PDB for #<Metabolite:0x00007fecb1549160>

3D PDB for #<Metabolite:0x00007fecb1549160>

SMILES for #<Metabolite:0x00007fecb1549160>

INCHI for #<Metabolite:0x00007fecb1549160>

Structure for #<Metabolite:0x00007fecb1549160>

3D Structure for #<Metabolite:0x00007fecb1549160>