MiMeDB: Showing metabocard for UDP-D-galactose (MMDBc0033087)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-19 04:34:12 UTC

Update Date

2024-04-20 06:15:50 UTC

Metabolite ID

MMDBc0033087

Metabolite Identification

Common Name

UDP-D-galactose

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). Defective galactosylation of complex glycoconjugates exists in tissues from galactosemic patients. There is a tendency for galactosemic red cell UDPgal to be in the low normal range with a high uridine diphosphate glucose to UDP-gal ratio. This may reflect an inability of red cell UDPgal-4'-epimerase to maintain a normal ratio and consequently higher levels of UDPgal. In the more complex white blood cells and cultured fibroblasts, the UDPgal content and the uridine diphosphate glucose to UDPgal ratio of galactosemics are normal. Therefore, defective galactosylation observed in galactosemic fibroblasts must result from a defect in the transfer of galactose from UDPgal to these moieties. (PMID: 2122114 , 7671968 ).

Structure

MOL SDF PDB SMILES InChI

ChEBI
  Mrv0541 02241222322D          

 36 38  0  0  1  0            999 V2000
   15.4716  -18.3754    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7159  -17.3550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7979  -17.8835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2294  -19.1437    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.0082  -16.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4425  -16.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1394  -18.3566    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.4081  -19.1437    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7175  -19.8098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0082  -16.0986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2928  -17.3361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4425  -16.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3560  -18.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9238  -19.8136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7196  -15.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1820  -17.3045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7196  -14.8610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3570  -17.3007    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   11.5319  -17.3007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3570  -16.4794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3531  -18.1257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7107  -17.3007    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.8819  -17.2969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7107  -16.4794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7107  -18.1257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1704  -17.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4513  -17.2969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1704  -18.5345    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7361  -17.7094    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4513  -18.9432    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8819  -18.9432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7361  -18.5345    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0321  -17.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4513  -19.7644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0321  -18.9432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4039  -17.8305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  1  0  0  0
  8 14  1  6  0  0  0
 10 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  6  0  0  0
 29 32  1  0  0  0  0
 29 33  1  1  0  0  0
 30 34  1  1  0  0  0
 32 35  1  1  0  0  0
 33 36  1  0  0  0  0
  7  8  1  0  0  0  0
 12 15  1  0  0  0  0
 30 32  1  0  0  0  0
  1  2  1  1  0  0  0
M  END

ChEBI
  Mrv0541 02241222322D          

 36 38  0  0  1  0            999 V2000
   15.4716  -18.3754    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7159  -17.3550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7979  -17.8835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2294  -19.1437    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.0082  -16.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4425  -16.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1394  -18.3566    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.4081  -19.1437    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7175  -19.8098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0082  -16.0986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2928  -17.3361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4425  -16.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3560  -18.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9238  -19.8136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7196  -15.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1820  -17.3045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7196  -14.8610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3570  -17.3007    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   11.5319  -17.3007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3570  -16.4794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3531  -18.1257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7107  -17.3007    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.8819  -17.2969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7107  -16.4794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7107  -18.1257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1704  -17.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4513  -17.2969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1704  -18.5345    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7361  -17.7094    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4513  -18.9432    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8819  -18.9432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7361  -18.5345    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0321  -17.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4513  -19.7644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0321  -18.9432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4039  -17.8305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  1  0  0  0
  8 14  1  6  0  0  0
 10 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  6  0  0  0
 29 32  1  0  0  0  0
 29 33  1  1  0  0  0
 30 34  1  1  0  0  0
 32 35  1  1  0  0  0
 33 36  1  0  0  0  0
  7  8  1  0  0  0  0
 12 15  1  0  0  0  0
 30 32  1  0  0  0  0
  1  2  1  1  0  0  0
M  END
> <DATABASE_ID>
MMDBc0033087

> <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?/m1/s1

> <INCHI_KEY>
HSCJRCZFDFQWRP-LNYDKVEPSA-N

> <FORMULA>
C15H24N2O17P2

> <MOLECULAR_WEIGHT>
566.3018

> <EXACT_MASS>
566.055020376

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_AVERAGE_POLARIZABILITY>
45.43655353807276

> <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]({[(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>
3.1563251336694855

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7326003066859688

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6484093801081894

> <JCHEM_POLAR_SURFACE_AREA>
291.53999999999996

> <JCHEM_REFRACTIVITY>
106.45579999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.50e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
uridine diphosphate-galactose

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: ChEBI                                             
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      28.880 -34.301   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0      29.336 -32.396   0.000  0.00  0.00           N+0
HETATM    3  O   UNK     0      27.623 -33.383   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      28.428 -35.735   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      28.015 -31.605   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      30.693 -31.605   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      26.394 -34.266   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      26.895 -35.735   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      29.339 -36.978   0.000  0.00  0.00           O+0
HETATM   10  N   UNK     0      28.015 -30.051   0.000  0.00  0.00           N+0
HETATM   11  O   UNK     0      26.680 -32.361   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      30.693 -30.051   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      24.931 -33.799   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      25.991 -36.985   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      29.343 -29.281   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      24.606 -32.302   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      29.343 -27.741   0.000  0.00  0.00           O+0
HETATM   18  P   UNK     0      23.066 -32.295   0.000  0.00  0.00           P+0
HETATM   19  O   UNK     0      21.526 -32.295   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      23.066 -30.762   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      23.059 -33.835   0.000  0.00  0.00           O+0
HETATM   22  P   UNK     0      19.993 -32.295   0.000  0.00  0.00           P+0
HETATM   23  O   UNK     0      18.446 -32.288   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      19.993 -30.762   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      19.993 -33.835   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      17.118 -33.058   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      15.776 -32.288   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      17.118 -34.598   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      14.441 -33.058   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      15.776 -35.361   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      18.446 -35.361   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      14.441 -34.598   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      13.127 -32.288   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      15.776 -36.894   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      13.127 -35.361   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      11.954 -33.284   0.000  0.00  0.00           O+0
CONECT    1    3    4    2                                                  
CONECT    2    5    6    1                                                  
CONECT    3    1    7                                                       
CONECT    4    1    8    9                                                  
CONECT    5    2   10   11                                                  
CONECT    6    2   12                                                       
CONECT    7    3   13    8                                                  
CONECT    8    4   14    7                                                  
CONECT    9    4                                                            
CONECT   10    5   15                                                       
CONECT   11    5                                                            
CONECT   12    6   15                                                       
CONECT   13    7   16                                                       
CONECT   14    8                                                            
CONECT   15   10   17   12                                                  
CONECT   16   13   18                                                       
CONECT   17   15                                                            
CONECT   18   16   19   20   21                                             
CONECT   19   18   22                                                       
CONECT   20   18                                                            
CONECT   21   18                                                            
CONECT   22   19   23   24   25                                             
CONECT   23   22   26                                                       
CONECT   24   22                                                            
CONECT   25   22                                                            
CONECT   26   23   27   28                                                  
CONECT   27   26   29                                                       
CONECT   28   26   30   31                                                  
CONECT   29   27   32   33                                                  
CONECT   30   28   34   32                                                  
CONECT   31   28                                                            
CONECT   32   29   35   30                                                  
CONECT   33   29   36                                                       
CONECT   34   30                                                            
CONECT   35   32                                                            
CONECT   36   33                                                            
MASTER        0    0    0    0    0    0    0    0   36    0   76    0
END

Synonyms

Value	Source
UDP Galactose	ChEBI
UDP-D-Galactopyranose	ChEBI
Udpgal	ChEBI
UDPgalactose	ChEBI
Uridine 5'-(trihydrogen diphosphate), p'-alpha-D-galactopyranosyl ester	ChEBI
Uridine diphosphate galactose	ChEBI
Uridine diphosphogalactose	ChEBI
Uridine pyrophosphogalactose	ChEBI
Uridinediphosphogalactose	ChEBI
Uridine 5'-(trihydrogen diphosphate), p'-a-D-galactopyranosyl ester	Generator
Uridine 5'-(trihydrogen diphosphate), p'-α-D-galactopyranosyl ester	Generator
Uridine 5'-(trihydrogen diphosphoric acid), p'-a-D-galactopyranosyl ester	Generator
Uridine 5'-(trihydrogen diphosphoric acid), p'-alpha-D-galactopyranosyl ester	Generator
Uridine 5'-(trihydrogen diphosphoric acid), p'-α-D-galactopyranosyl ester	Generator
Uridine diphosphoric acid galactose	Generator
Uridine diphosphoric acid-galactose	Generator

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]({[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphinic acid

Traditional Name

uridine diphosphate-galactose

CAS Registry Number

2956-16-3

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?/m1/s1

InChI Key

HSCJRCZFDFQWRP-LNYDKVEPSA-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

UDP-sugar (CHEBI:18307 )

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	45.44 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 (TMS_4_126) - 70eV, Positive	Not Available	2022-08-08	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
MS	Mass Spectrum (Electron Ionization)	Not Available	2022-08-06	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-23	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Golgi apparatus

Biospecimen Locations

Liver
Platelet
Urine

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
Eukaryota/Fungi	Ascomycota	1	Human feces; Human saliva	Unknown

Exposure Sources

Host Biospecimen and Location

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

Not Available

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

Not Available

METLIN ID

Not Available

PubChem Compound

6857410

PDB ID

Not Available

ChEBI ID

18307

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 UDP-D-galactose (MMDBc0033087)

MOL for #<Metabolite:0x00007fdb58f365e8>

3D MOL for #<Metabolite:0x00007fdb58f365e8>

3D SDF for #<Metabolite:0x00007fdb58f365e8>

3D-SDF for #<Metabolite:0x00007fdb58f365e8>

PDB for #<Metabolite:0x00007fdb58f365e8>

3D PDB for #<Metabolite:0x00007fdb58f365e8>

SMILES for #<Metabolite:0x00007fdb58f365e8>

INCHI for #<Metabolite:0x00007fdb58f365e8>

Structure for #<Metabolite:0x00007fdb58f365e8>

3D Structure for #<Metabolite:0x00007fdb58f365e8>