MiMeDB: Showing metabocard for Galactose 1-phosphate (MMDBc0029757)

Plant

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:40:22 UTC

Update Date

2022-08-31 17:16:44 UTC

Metabolite ID

MMDBc0029757

Metabolite Identification

Common Name

Galactose 1-phosphate

Description

Galactose 1-phosphate is an intermediate in the Galactose metabolism

Structure

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

HMDB0000645
     RDKit          3D
Galactose 1-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
    4.1206   -0.3372    1.5655 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2364   -0.5817    0.3503 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.8534    0.3445   -0.9212 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2107   -2.1999   -0.0936 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -0.0193    0.6869 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9211   -0.1020   -0.4772 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1325   -0.9644   -0.2884 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8921   -0.5486    0.7910 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9440   -1.6286    1.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6903   -1.7035   -0.1515 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5628    0.7765    0.5028 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9655    0.6328    0.4377 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0598    1.2803   -0.8254 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4253    0.3700   -1.8306 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4541    1.3085   -0.7942 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9512    2.2398    0.1014 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7489    1.3118   -0.7579 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9126   -2.6959    0.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5305   -0.5145   -1.3251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2902   -0.4724    1.7119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5599   -1.4274    1.9113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4092   -2.5897    1.1465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1558   -2.5468   -0.2697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3318    1.5037    1.2902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2950    1.5671    0.2501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4637    2.3002   -1.0394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3878    0.3765   -2.0166 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7795    1.5623   -1.8398 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1673    2.7581    0.4343 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15  6  1  0
  3 17  1  0
  4 18  1  0
  6 19  1  6
  8 20  1  1
  9 21  1  0
  9 22  1  0
 10 23  1  0
 11 24  1  1
 12 25  1  0
 13 26  1  6
 14 27  1  0
 15 28  1  6
 16 29  1  0
M  END

ChEBI
  Mrv1652309042000052D          

 16 16  0  0  1  0            999 V2000
   13.1039   -7.9403    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.3854   -7.5259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1039   -8.7653    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.8224   -7.5259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6668   -7.9403    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.3854   -9.1835    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.8224   -9.1835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6474   -7.5259    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   11.6668   -8.7653    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9597   -7.5259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3854  -10.0084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4761   -7.5259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6474   -6.7009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6474   -8.3546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9597   -9.1835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3363   -7.9555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  6  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  1  0  0  0
  6 11  1  1  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  1  0  0  0
 10 16  1  0  0  0  0
  6  9  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0029757

> <DATABASE_NAME>
MIME

> <SMILES>
OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4+,5-,6-/m1/s1

> <INCHI_KEY>
HXXFSFRBOHSIMQ-FPRJBGLDSA-N

> <FORMULA>
C6H13O9P

> <MOLECULAR_WEIGHT>
260.1358

> <EXACT_MASS>
260.029718526

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
20.62028301430712

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-2.00

> <JCHEM_LOGP>
-3.056105249333333

> <ALOGPS_LOGS>
-0.91

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.218893458242332

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.1553718480897146

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810995814615806

> <JCHEM_POLAR_SURFACE_AREA>
156.91

> <JCHEM_REFRACTIVITY>
46.796299999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.23e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
galactose 1 phosphate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0000645
     RDKit          3D
Galactose 1-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
    4.1206   -0.3372    1.5655 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2364   -0.5817    0.3503 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.8534    0.3445   -0.9212 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2107   -2.1999   -0.0936 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -0.0193    0.6869 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9211   -0.1020   -0.4772 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1325   -0.9644   -0.2884 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8921   -0.5486    0.7910 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9440   -1.6286    1.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6903   -1.7035   -0.1515 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5628    0.7765    0.5028 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9655    0.6328    0.4377 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0598    1.2803   -0.8254 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4253    0.3700   -1.8306 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4541    1.3085   -0.7942 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9512    2.2398    0.1014 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7489    1.3118   -0.7579 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9126   -2.6959    0.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5305   -0.5145   -1.3251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2902   -0.4724    1.7119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5599   -1.4274    1.9113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4092   -2.5897    1.1465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1558   -2.5468   -0.2697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3318    1.5037    1.2902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2950    1.5671    0.2501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4637    2.3002   -1.0394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3878    0.3765   -2.0166 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7795    1.5623   -1.8398 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1673    2.7581    0.4343 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15  6  1  0
  3 17  1  0
  4 18  1  0
  6 19  1  6
  8 20  1  1
  9 21  1  0
  9 22  1  0
 10 23  1  0
 11 24  1  1
 12 25  1  0
 13 26  1  6
 14 27  1  0
 15 28  1  6
 16 29  1  0
M  END

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: ChEBI                                             
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  C   UNK     0      24.461 -14.822   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      23.119 -14.048   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      24.461 -16.362   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      25.802 -14.048   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      21.778 -14.822   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      23.119 -17.143   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      25.802 -17.143   0.000  0.00  0.00           O+0
HETATM    8  P   UNK     0      27.342 -14.048   0.000  0.00  0.00           P+0
HETATM    9  C   UNK     0      21.778 -16.362   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      20.458 -14.048   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      23.119 -18.682   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      28.889 -14.048   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      27.342 -12.508   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      27.342 -15.595   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      20.458 -17.143   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      19.294 -14.850   0.000  0.00  0.00           O+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5                                                       
CONECT    3    1    6    7                                                  
CONECT    4    1    8                                                       
CONECT    5    2    9   10                                                  
CONECT    6    3   11    9                                                  
CONECT    7    3                                                            
CONECT    8    4   12   13   14                                             
CONECT    9    5   15    6                                                  
CONECT   10    5   16                                                       
CONECT   11    6                                                            
CONECT   12    8                                                            
CONECT   13    8                                                            
CONECT   14    8                                                            
CONECT   15    9                                                            
CONECT   16   10                                                            
MASTER        0    0    0    0    0    0    0    0   16    0   32    0
END

COMPND    HMDB0000645
HETATM    1  O1  UNL     1       4.121  -0.337   1.566  1.00  0.00           O  
HETATM    2  P1  UNL     1       3.236  -0.582   0.350  1.00  0.00           P  
HETATM    3  O2  UNL     1       3.853   0.344  -0.921  1.00  0.00           O  
HETATM    4  O3  UNL     1       3.211  -2.200  -0.094  1.00  0.00           O  
HETATM    5  O4  UNL     1       1.679  -0.019   0.687  1.00  0.00           O  
HETATM    6  C1  UNL     1       0.921  -0.102  -0.477  1.00  0.00           C  
HETATM    7  O5  UNL     1      -0.133  -0.964  -0.288  1.00  0.00           O  
HETATM    8  C2  UNL     1      -0.892  -0.549   0.791  1.00  0.00           C  
HETATM    9  C3  UNL     1      -1.944  -1.629   1.031  1.00  0.00           C  
HETATM   10  O6  UNL     1      -2.690  -1.703  -0.152  1.00  0.00           O  
HETATM   11  C4  UNL     1      -1.563   0.776   0.503  1.00  0.00           C  
HETATM   12  O7  UNL     1      -2.966   0.633   0.438  1.00  0.00           O  
HETATM   13  C5  UNL     1      -1.060   1.280  -0.825  1.00  0.00           C  
HETATM   14  O8  UNL     1      -1.425   0.370  -1.831  1.00  0.00           O  
HETATM   15  C6  UNL     1       0.454   1.309  -0.794  1.00  0.00           C  
HETATM   16  O9  UNL     1       0.951   2.240   0.101  1.00  0.00           O  
HETATM   17  H1  UNL     1       3.749   1.312  -0.758  1.00  0.00           H  
HETATM   18  H2  UNL     1       3.913  -2.696   0.420  1.00  0.00           H  
HETATM   19  H3  UNL     1       1.531  -0.515  -1.325  1.00  0.00           H  
HETATM   20  H4  UNL     1      -0.290  -0.472   1.712  1.00  0.00           H  
HETATM   21  H5  UNL     1      -2.560  -1.427   1.911  1.00  0.00           H  
HETATM   22  H6  UNL     1      -1.409  -2.590   1.147  1.00  0.00           H  
HETATM   23  H7  UNL     1      -3.156  -2.547  -0.270  1.00  0.00           H  
HETATM   24  H8  UNL     1      -1.332   1.504   1.290  1.00  0.00           H  
HETATM   25  H9  UNL     1      -3.295   1.567   0.250  1.00  0.00           H  
HETATM   26  H10 UNL     1      -1.464   2.300  -1.039  1.00  0.00           H  
HETATM   27  H11 UNL     1      -2.388   0.377  -2.017  1.00  0.00           H  
HETATM   28  H12 UNL     1       0.779   1.562  -1.840  1.00  0.00           H  
HETATM   29  H13 UNL     1       0.167   2.758   0.434  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4    5
CONECT    3   17
CONECT    4   18
CONECT    5    6
CONECT    6    7   15   19
CONECT    7    8
CONECT    8    9   11   20
CONECT    9   10   21   22
CONECT   10   23
CONECT   11   12   13   24
CONECT   12   25
CONECT   13   14   15   26
CONECT   14   27
CONECT   15   16   28
CONECT   16   29
END

HMDB0000645
     RDKit          3D
Galactose 1-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
    4.1206   -0.3372    1.5655 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2364   -0.5817    0.3503 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.8534    0.3445   -0.9212 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2107   -2.1999   -0.0936 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -0.0193    0.6869 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9211   -0.1020   -0.4772 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1325   -0.9644   -0.2884 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8921   -0.5486    0.7910 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9440   -1.6286    1.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6903   -1.7035   -0.1515 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5628    0.7765    0.5028 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9655    0.6328    0.4377 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0598    1.2803   -0.8254 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4253    0.3700   -1.8306 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4541    1.3085   -0.7942 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9512    2.2398    0.1014 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7489    1.3118   -0.7579 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9126   -2.6959    0.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5305   -0.5145   -1.3251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2902   -0.4724    1.7119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5599   -1.4274    1.9113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4092   -2.5897    1.1465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1558   -2.5468   -0.2697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3318    1.5037    1.2902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2950    1.5671    0.2501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4637    2.3002   -1.0394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3878    0.3765   -2.0166 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7795    1.5623   -1.8398 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1673    2.7581    0.4343 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15  6  1  0
  3 17  1  0
  4 18  1  0
  6 19  1  6
  8 20  1  1
  9 21  1  0
  9 22  1  0
 10 23  1  0
 11 24  1  1
 12 25  1  0
 13 26  1  6
 14 27  1  0
 15 28  1  6
 16 29  1  0
M  END

Synonyms

Value	Source
1-O-Phosphono-alpha-D-galactopyranose	ChEBI
alpha-D-Gal-1-p	ChEBI
alpha-D-Galactopyranose 1-phosphate	ChEBI
alpha-D-Galactopyranose, 1-(dihydrogen phosphate)	ChEBI
alpha-D-Galactopyranosyl phosphate	ChEBI
alpha-D-Galactosyl phosphate	ChEBI
Galactose-1-phosphate	ChEBI
1-O-Phosphono-a-D-galactopyranose	Generator
1-O-Phosphono-α-D-galactopyranose	Generator
a-D-Gal-1-p	Generator
Α-D-gal-1-p	Generator
a-D-Galactopyranose 1-phosphate	Generator
a-D-Galactopyranose 1-phosphoric acid	Generator
alpha-D-Galactopyranose 1-phosphoric acid	Generator
Α-D-galactopyranose 1-phosphate	Generator
Α-D-galactopyranose 1-phosphoric acid	Generator
a-D-Galactopyranose, 1-(dihydrogen phosphate)	Generator
a-D-Galactopyranose, 1-(dihydrogen phosphoric acid)	Generator
alpha-D-Galactopyranose, 1-(dihydrogen phosphoric acid)	Generator
Α-D-galactopyranose, 1-(dihydrogen phosphate)	Generator
Α-D-galactopyranose, 1-(dihydrogen phosphoric acid)	Generator
a-D-Galactopyranosyl phosphate	Generator
a-D-Galactopyranosyl phosphoric acid	Generator
alpha-D-Galactopyranosyl phosphoric acid	Generator
Α-D-galactopyranosyl phosphate	Generator
Α-D-galactopyranosyl phosphoric acid	Generator
a-D-Galactosyl phosphate	Generator
a-D-Galactosyl phosphoric acid	Generator
alpha-D-Galactosyl phosphoric acid	Generator
Α-D-galactosyl phosphate	Generator
Α-D-galactosyl phosphoric acid	Generator
Galactose-1-phosphoric acid	Generator
Galactose 1-phosphoric acid	Generator
a-D-Galactose-1-phosphate	HMDB
a-D-Galactose-1-phosphoric acid	HMDB
alpha-D-Galactose-1-phosphoric acid	HMDB
Α-D-galactose-1-phosphate	HMDB
Α-D-galactose-1-phosphoric acid	HMDB
Galactose-1-phosphate, (beta-L-gal)-isomer	HMDB
Galactose-1-phosphate, 14C-labeled	HMDB
Galactose-1-phosphate, disilver (+1) salt, (D-gal)-isomer	HMDB
Galactose-1-phosphate, sodium salt	HMDB
Galactose-1-phosphate, (beta-D-gal)-isomer	HMDB
1-(Dihydrogen phosphate) galactitol	HMDB
1-Phosphate a-D-galactopyranose	HMDB
a-D-1-(Dihydrogen phosphate) galactopyranose	HMDB
a-D-Galactose 1-phosphate	HMDB
alpha-D-1-(Dihydrogen phosphate) galactopyranose	HMDB
alpha-D-Galactose 1-phosphate	HMDB
D-Galactose 1-phosphate	HMDB
Galactopyranose 1-phosphate	HMDB
D-Galactopyranose 1-phosphate	HMDB
D-Galactopyranose 1-phosphoric acid	HMDB
D-Galactose 1-phosphoric acid	HMDB

Molecular Formula

C₆H₁₃O₉P

Average Mass

260.1358

Monoisotopic Mass

260.029718526

IUPAC Name

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

Traditional Name

galactose 1 phosphate

CAS Registry Number

2255-14-3

SMILES

OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@H]1O

InChI Identifier

InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4+,5-,6-/m1/s1

InChI Key

HXXFSFRBOHSIMQ-FPRJBGLDSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Monosaccharide phosphates

Alternative Parents

Substituents

Hexose monosaccharide
Monosaccharide phosphate
Monoalkyl phosphate
Organic phosphoric acid derivative
Oxane
Alkyl phosphate
Phosphoric acid ester
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Polyol
Alcohol
Hydrocarbon derivative
Primary alcohol
Organic oxide
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

D-galactopyranose 1-phosphate (CHEBI:17973 )
alpha-D-hexose 1-phosphate (CHEBI:17973 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	32.3 g/L	ALOGPS
logP	-2	ALOGPS
logP	-3.1	ChemAxon
logS	-0.91	ALOGPS
pKa (Strongest Acidic)	1.16	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	156.91 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	46.8 m³·mol⁻¹	ChemAxon
Polarizability	20.62 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Blood
Erythrocyte
Feces
Placenta

Tissue Locations

Erythrocyte
Placenta

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0192698	Galactose-1-phosphate uridylyltransferase	Unknown	P07902	Homo_sapiens
MMDBp0192742	N-acetylgalactosamine kinase	Enzyme	Q01415	Homo_sapiens
MMDBp0192956	Galactokinase	Enzyme	P51570	Homo_sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated 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
Bacteria	Proteobacteria	104	Pig ; Human feces; Human ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human feces; pleural fluid plaque; bal	Unknown; Metabolic reconstruction
Bacteria	Firmicutes	355	Human feces; Human pleural fluid plaque; Human ; Pig ; Cattle	Metabolic reconstruction
Bacteria	Actinobacteria	109	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human	Metabolic reconstruction
Bacteria	Verrucomicrobia	1	Human ; Human feces	Metabolic reconstruction
Bacteria	Bacteroidetes	116	Human feces; Human appendix biopsy; Human	Metabolic reconstruction
Bacteria	Spirochaetes	1	Human feces	Metabolic reconstruction
Archaea	Thaumarchaeota	1	Human feces	Metabolic reconstruction
Bacteria	Fusobacteria	20	Human feces; Human	Metabolic reconstruction
Bacteria	Planctomycetes	1	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1	Human feces	Metabolic reconstruction
Eukaryota/Fungi	Basidiomycota	2
Eukaryota/Fungi	Ascomycota	6	Human feces	Unknown
Bacteria	Thermotogae	1

Exposure Sources

Food Exposures

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified								HMDB
Human	Detected and Quantified	31.0		0.0	57.0	Children (1-13 years old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human	Detected and Quantified	65.0	31.0			Newborn (0-30 days old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Erythrocyte	Detected but not Quantified					Not Specified	Not Specified	Normal	HMDB	34986597
Human Placenta	Detected but not Quantified					Not Specified	Not Specified	Normal	HMDB	34986597

External Links

HMDB ID

HMDB0000645

DrugBank ID

DB02317

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB001159

KNApSAcK ID

C00007391

Chemspider ID

Not Available

KEGG Compound ID

C00446

BioCyc ID

GALACTOSE-1P

BiGG ID

Not Available

Wikipedia Link

Galactose_1-phosphate

METLIN ID

Not Available

PubChem Compound

123912

PDB ID

Not Available

ChEBI ID

17973

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Bozkowa K, Zbieg-Sendecka E, Grodzka Z, Cabalska B: [Clinical and biochemical diagnosis of galactosemia among our cases]. Probl Med Wieku Rozwoj. 1979;8:63-9. [PubMed:263527 ]
Gitzelmann R, Steinmann B, Mitchell B, Haigis E: Uridine diphosphate galactose 4'-epimerase deficiency. IV. Report of eight cases in three families. Helv Paediatr Acta. 1977 Apr;31(6):441-52. [PubMed:404274 ]
Wharton CH, Berry HK, Bofinger MK: Galactose-1-phosphate accumulation by a Duarte-transferase deficiency double heterozygote. Clin Genet. 1978 Feb;13(2):171-5. doi: 10.1111/j.1399-0004.1978.tb04247.x. [PubMed:627109 ]
Schaub J, Remberger K, Endres W, Bremer HJ: Galactosemia with endogenous production of galactose-1-phosphate and with cystic fibrosis-like appearance at autopsy. Helv Paediatr Acta. 1976 Jun;31(1):67-76. [PubMed:939702 ]
Bozkowa K, Duchnowska A, Chojnacki T, Mankowski T: [New radioisotope method of quantitative determination of galactose-1-phosphate in red blood cells in galactosemia]. Pol Tyg Lek. 1975 Dec 22;30(51):2123-6. [PubMed:1197109 ]
Mankowski T, Radomyska B, Zbieg-Sendecka E: Preliminary results of UDP galactose pyrophosphorylase in the erythrocytes of healthy persons and in patients with galactosaemia. Mater Med Pol. 1990 Jul-Sep;22(3):191-3. [PubMed:2132425 ]
Barth CA, Kopra N: Oral intake of glucose plus galactose and erythrocyte galactose-1-phosphate. A nutritional evaluation of hydrolyzed lactose. Z Ernahrungswiss. 1986 Sep;25(3):171-9. doi: 10.1007/BF02021249. [PubMed:3776241 ]
Dahlqvist A: A fluorometric method for the assay of galactose-1-phosphate in red blood cells. J Lab Clin Med. 1971 Dec;78(6):931-8. [PubMed:5131857 ]
Pesce MA, Bodourian SH: Clinical significance of plasma galactose and erythrocyte galactose-1-phosphate measurements in transferase-deficient galactosemia and in individuals with below-normal transferase activity. Clin Chem. 1982 Feb;28(2):301-5. [PubMed:6276048 ]
Pesce MA, Bodourian SH, Nicholson JF: A new microfluorometric method for the measurement of galactose-1-phosphate in erythrocytes. Clin Chim Acta. 1982 Feb 5;118(2-3):177-89. doi: 10.1016/0009-8981(82)90005-5. [PubMed:7055979 ]
Gitzelmann R: Galactose-1-phosphate in the pathophysiology of galactosemia. Eur J Pediatr. 1995;154(7 Suppl 2):S45-9. doi: 10.1007/BF02143803. [PubMed:7671964 ]
Moller HE, Ullrich K, Vermathen P, Schuierer G, Koch HG: In vivo study of brain metabolism in galactosemia by 1H and 31P magnetic resonance spectroscopy. Eur J Pediatr. 1995;154(7 Suppl 2):S8-13. doi: 10.1007/BF02143796. [PubMed:7671972 ]
Berry GT, Palmieri M, Gross KC, Acosta PB, Henstenburg JA, Mazur A, Reynolds R, Segal S: The effect of dietary fruits and vegetables on urinary galactitol excretion in galactose-1-phosphate uridyltransferase deficiency. J Inherit Metab Dis. 1993;16(1):91-100. doi: 10.1007/BF00711320. [PubMed:8487507 ]
Endres W: Inherited metabolic diseases affecting the carrier. J Inherit Metab Dis. 1997 Mar;20(1):9-20. doi: 10.1023/a:1005397120726. [PubMed:9061562 ]
Ono H, Mawatari H, Mizoguchi N, Eguchi T, Sakura N, Hamakawa M: Transient galactosemia detected by neonatal mass screening. Pediatr Int. 1999 Jun;41(3):281-4. doi: 10.1046/j.1442-200x.1999.01070.x. [PubMed:10365579 ]
Ning C, Reynolds R, Chen J, Yager C, Berry GT, McNamara PD, Leslie N, Segal S: Galactose metabolism by the mouse with galactose-1-phosphate uridyltransferase deficiency. Pediatr Res. 2000 Aug;48(2):211-7. doi: 10.1203/00006450-200008000-00015. [PubMed:10926297 ]
Guerrero NV, Singh RH, Manatunga A, Berry GT, Steiner RD, Elsas LJ 2nd: Risk factors for premature ovarian failure in females with galactosemia. J Pediatr. 2000 Dec;137(6):833-41. doi: 10.1067/mpd.2000.109148. [PubMed:11113841 ]
Schadewaldt P, Kamalanathan L, Hammen HW, Wendel U: Age dependence of endogenous galactose formation in Q188R homozygous galactosemic patients. Mol Genet Metab. 2004 Jan;81(1):31-44. doi: 10.1016/j.ymgme.2003.10.007. [PubMed:14728989 ]
Barbouth D, Slepak T, Klapper H, Lai K, Elsas LJ: Prevention of a molecular misdiagnosis in galactosemia. Genet Med. 2006 Mar;8(3):178-82. doi: 10.1097/01.gim.0000204019.54509.40. [PubMed:16540753 ]
McCorvie TJ, Gleason TJ, Fridovich-Keil JL, Timson DJ: Misfolding of galactose 1-phosphate uridylyltransferase can result in type I galactosemia. Biochim Biophys Acta. 2013 Aug;1832(8):1279-93. doi: 10.1016/j.bbadis.2013.04.004. Epub 2013 Apr 11. [PubMed:23583749 ]
Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]

Showing metabocard for Galactose 1-phosphate (MMDBc0029757)

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