MiMeDB: Showing metabocard for D-mannose 6-phosphate (MMDBc0033192)

Microbial

Plant

Animal

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-11-19 04:38:29 UTC

Update Date

2024-04-20 06:14:29 UTC

Metabolite ID

MMDBc0033192

Metabolite Identification

Common Name

D-mannose 6-phosphate

Description

Mannose 6-phosphate, also known as alpha-D-mannose-6-p or man-6-p, belongs to the class of organic compounds known as hexose phosphates. These are carbohydrate derivatives containing a hexose substituted by one or more phosphate groups. Mannose 6-phosphate exists in all eukaryotes, ranging from yeast to humans. Within humans, mannose 6-phosphate participates in a number of enzymatic reactions. In particular, mannose 6-phosphate can be converted into fructose 6-phosphate through its interaction with the enzyme mannose-6-phosphate isomerase. In addition, mannose 6-phosphate can be biosynthesized from D-mannose through the action of the enzyme hexokinase-1. Mannose 6-phosphate is a potent competitive inhibitor of pinocytosis of human platelet beta-glucuronidase and it is a necessary component of the recognition marker on the enzyme for pinocytosis by human fibroblasts as well (PMID 908752 ). In humans, mannose 6-phosphate is involved in fructose intolerance, hereditary.

Structure

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

HMDB0304312
     RDKit          3D
D-mannose 6-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
    3.7837    0.2687   -1.6616 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6090    0.3635   -0.1746 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.5592   -0.8204    0.5827 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2258    1.8666    0.3340 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0118    0.2956    0.3209 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.7594   -0.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0102   -0.2046   -0.7701 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9046   -1.1996   -0.8330 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1639   -1.0693   -0.3882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0827   -1.1974   -1.4444 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5355    0.1571    0.3649 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5522   -0.0333    1.2886 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3153    0.6330    1.1217 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7863   -0.3376    1.9530 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3398    1.0122    0.0135 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9528    1.9836   -0.7711 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5183   -1.6583    0.0764 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8077    2.2796   -0.3377 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8526   -1.3549   -0.9525 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0008   -1.4103    0.6458 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2469    0.1252   -1.8097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3917   -1.9385    0.2832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9415   -1.5861   -1.1413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7923    0.9778   -0.3513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4209   -0.1604    0.8153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5149    1.5525    1.6881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1704   -1.2279    1.7748 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5177    1.4900    0.5193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5575    1.9527   -1.6797 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
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15  7  1  0
  3 17  1  0
  4 18  1  0
  6 19  1  0
  6 20  1  0
  7 21  1  6
  9 22  1  0
 10 23  1  0
 11 24  1  6
 12 25  1  0
 13 26  1  1
 14 27  1  0
 15 28  1  1
 16 29  1  0
M  END

 
  Mrv0541 02241222482D          
 
 16 16  0  0  1  0            999 V2000
   14.3089  -12.0686    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   15.1352  -12.0723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4827  -12.0686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3089  -11.2049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3015  -12.8948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7681  -11.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4731  -11.9511    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.4731  -12.7736    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.1894  -11.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1894  -13.1905    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7681  -13.1905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9095  -11.9511    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   17.9095  -12.7736    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.1894  -14.0129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6221  -11.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6221  -13.1905    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  0  0  0  0
  1  5  2  0  0  0  0
  2  6  1  0  0  0  0
  7  6  1  1  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  6  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  1  0  0  0
 12 15  1  4  0  0  0
 13 16  1  1  0  0  0
 12 13  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0033192

> <DATABASE_NAME>
MIME

> <SMILES>
OC1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H]1O

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

> <INCHI_KEY>
NBSCHQHZLSJFNQ-QTVWNMPRSA-N

> <FORMULA>
C6H13O9P

> <MOLECULAR_WEIGHT>
260.1358

> <EXACT_MASS>
260.029718526

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
20.58865044592404

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}phosphonic acid

> <ALOGPS_LOGP>
-2.06

> <JCHEM_LOGP>
-3.056105249333333

> <ALOGPS_LOGS>
-0.92

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.248752256962443

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.222936327751123

> <JCHEM_PKA_STRONGEST_BASIC>
-3.64935696086094

> <JCHEM_POLAR_SURFACE_AREA>
156.91

> <JCHEM_REFRACTIVITY>
46.796299999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.14e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
mannose 6-phosphate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0304312
     RDKit          3D
D-mannose 6-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
    3.7837    0.2687   -1.6616 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6090    0.3635   -0.1746 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.5592   -0.8204    0.5827 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2258    1.8666    0.3340 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0118    0.2956    0.3209 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.7594   -0.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0102   -0.2046   -0.7701 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9046   -1.1996   -0.8330 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1639   -1.0693   -0.3882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0827   -1.1974   -1.4444 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5355    0.1571    0.3649 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5522   -0.0333    1.2886 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3153    0.6330    1.1217 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7863   -0.3376    1.9530 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3398    1.0122    0.0135 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9528    1.9836   -0.7711 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5183   -1.6583    0.0764 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8077    2.2796   -0.3377 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8526   -1.3549   -0.9525 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0008   -1.4103    0.6458 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2469    0.1252   -1.8097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3917   -1.9385    0.2832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9415   -1.5861   -1.1413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7923    0.9778   -0.3513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4209   -0.1604    0.8153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5149    1.5525    1.6881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1704   -1.2279    1.7748 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5177    1.4900    0.5193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5575    1.9527   -1.6797 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
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15  7  1  0
  3 17  1  0
  4 18  1  0
  6 19  1  0
  6 20  1  0
  7 21  1  6
  9 22  1  0
 10 23  1  0
 11 24  1  6
 12 25  1  0
 13 26  1  1
 14 27  1  0
 15 28  1  1
 16 29  1  0
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE:                                                   
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  P   UNK     0      26.710 -22.528   0.000  0.00  0.00           P+0
HETATM    2  O   UNK     0      28.252 -22.535   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      25.168 -22.528   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      26.710 -20.916   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      26.696 -24.070   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      29.434 -21.545   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      30.750 -22.309   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      30.750 -23.844   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      32.087 -21.545   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      32.087 -24.622   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      29.434 -24.622   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      33.431 -22.309   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      33.431 -23.844   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      32.087 -26.157   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      34.761 -21.545   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      34.761 -24.622   0.000  0.00  0.00           O+0
CONECT    1    2    3    4    5                                             
CONECT    2    1    6                                                       
CONECT    3    1                                                            
CONECT    4    1                                                            
CONECT    5    1                                                            
CONECT    6    2    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7   10   11                                                  
CONECT    9    7   12                                                       
CONECT   10    8   13   14                                                  
CONECT   11    8                                                            
CONECT   12    9   15   13                                                  
CONECT   13   10   16   12                                                  
CONECT   14   10                                                            
CONECT   15   12                                                            
CONECT   16   13                                                            
MASTER        0    0    0    0    0    0    0    0   16    0   32    0
END

COMPND    HMDB0304312
HETATM    1  O1  UNL     1       3.784   0.269  -1.662  1.00  0.00           O  
HETATM    2  P1  UNL     1       3.609   0.363  -0.175  1.00  0.00           P  
HETATM    3  O2  UNL     1       4.559  -0.820   0.583  1.00  0.00           O  
HETATM    4  O3  UNL     1       4.226   1.867   0.334  1.00  0.00           O  
HETATM    5  O4  UNL     1       2.012   0.296   0.321  1.00  0.00           O  
HETATM    6  C1  UNL     1       1.299  -0.759  -0.214  1.00  0.00           C  
HETATM    7  C2  UNL     1      -0.010  -0.205  -0.770  1.00  0.00           C  
HETATM    8  O5  UNL     1      -0.905  -1.200  -0.833  1.00  0.00           O  
HETATM    9  C3  UNL     1      -2.164  -1.069  -0.388  1.00  0.00           C  
HETATM   10  O6  UNL     1      -3.083  -1.197  -1.444  1.00  0.00           O  
HETATM   11  C4  UNL     1      -2.535   0.157   0.365  1.00  0.00           C  
HETATM   12  O7  UNL     1      -3.552  -0.033   1.289  1.00  0.00           O  
HETATM   13  C5  UNL     1      -1.315   0.633   1.122  1.00  0.00           C  
HETATM   14  O8  UNL     1      -0.786  -0.338   1.953  1.00  0.00           O  
HETATM   15  C6  UNL     1      -0.340   1.012   0.013  1.00  0.00           C  
HETATM   16  O9  UNL     1      -0.953   1.984  -0.771  1.00  0.00           O  
HETATM   17  H1  UNL     1       4.518  -1.658   0.076  1.00  0.00           H  
HETATM   18  H2  UNL     1       4.808   2.280  -0.338  1.00  0.00           H  
HETATM   19  H3  UNL     1       1.853  -1.355  -0.952  1.00  0.00           H  
HETATM   20  H4  UNL     1       1.001  -1.410   0.646  1.00  0.00           H  
HETATM   21  H5  UNL     1       0.247   0.125  -1.810  1.00  0.00           H  
HETATM   22  H6  UNL     1      -2.392  -1.939   0.283  1.00  0.00           H  
HETATM   23  H7  UNL     1      -3.942  -1.586  -1.141  1.00  0.00           H  
HETATM   24  H8  UNL     1      -2.792   0.978  -0.351  1.00  0.00           H  
HETATM   25  H9  UNL     1      -4.421  -0.160   0.815  1.00  0.00           H  
HETATM   26  H10 UNL     1      -1.515   1.553   1.688  1.00  0.00           H  
HETATM   27  H11 UNL     1      -1.170  -1.228   1.775  1.00  0.00           H  
HETATM   28  H12 UNL     1       0.518   1.490   0.519  1.00  0.00           H  
HETATM   29  H13 UNL     1      -0.557   1.953  -1.680  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   19   20
CONECT    7    8   15   21
CONECT    8    9
CONECT    9   10   11   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

HMDB0304312
     RDKit          3D
D-mannose 6-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
    3.7837    0.2687   -1.6616 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6090    0.3635   -0.1746 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.5592   -0.8204    0.5827 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2258    1.8666    0.3340 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0118    0.2956    0.3209 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.7594   -0.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0102   -0.2046   -0.7701 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9046   -1.1996   -0.8330 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1639   -1.0693   -0.3882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0827   -1.1974   -1.4444 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5355    0.1571    0.3649 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5522   -0.0333    1.2886 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3153    0.6330    1.1217 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7863   -0.3376    1.9530 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3398    1.0122    0.0135 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9528    1.9836   -0.7711 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5183   -1.6583    0.0764 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8077    2.2796   -0.3377 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8526   -1.3549   -0.9525 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0008   -1.4103    0.6458 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2469    0.1252   -1.8097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3917   -1.9385    0.2832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9415   -1.5861   -1.1413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7923    0.9778   -0.3513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4209   -0.1604    0.8153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5149    1.5525    1.6881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1704   -1.2279    1.7748 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5177    1.4900    0.5193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5575    1.9527   -1.6797 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
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15  7  1  0
  3 17  1  0
  4 18  1  0
  6 19  1  0
  6 20  1  0
  7 21  1  6
  9 22  1  0
 10 23  1  0
 11 24  1  6
 12 25  1  0
 13 26  1  1
 14 27  1  0
 15 28  1  1
 16 29  1  0
M  END

Synonyms

Value	Source
D-Mannose 6-phosphoric acid	Generator
Mannose-6-phosphate dilithium salt	MeSH
Mannose-6-phosphate disodium salt	MeSH
Mannose-6-phosphate sodium salt, (D)-isomer	MeSH
Mannose-6-phosphate	MeSH

Molecular Formula

C₆H₁₃O₉P

Average Mass

260.1358

Monoisotopic Mass

260.029718526

IUPAC Name

{[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}phosphonic acid

Traditional Name

mannose 6-phosphate

CAS Registry Number

3672-15-9

SMILES

OC1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H]1O

InChI Identifier

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

InChI Key

NBSCHQHZLSJFNQ-QTVWNMPRSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hexose phosphates. These are carbohydrate derivatives containing a hexose substituted by one or more phosphate groups.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Hexose phosphates

Alternative Parents

Substituents

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

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

D-hexopyranose 6-phosphate (CHEBI:48066 )
D-mannose 6-phosphate (CHEBI:48066 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	31.4 g/L	ALOGPS
logP	-2.1	ALOGPS
logP	-3.1	ChemAxon
logS	-0.92	ALOGPS
pKa (Strongest Acidic)	1.22	ChemAxon
pKa (Strongest Basic)	-3.6	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	20.59 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

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0005-9740000000-a6e81224fb97751dc2e6	2016-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03di-0490000000-94ea79ec673f4688b7a0	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03dm-5940000000-c649262446626dcb8d6e	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0uka-9800000000-aae2cb792906d2dec6cd	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0a6r-8290000000-8e20219f94b3fe964e38	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9000000000-b19b64f5cb4124047baf	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-ecb75a44e3d25affdf31	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0a6s-9060000000-b446300429049a22bea4	2021-10-21	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9000000000-d5aaca13a836cb9f1725	2021-10-21	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-a5e502a2627af2048a1f	2021-10-21	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03dm-0970000000-40dbaf3d3c72cf65bf47	2021-10-21	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-01ot-7900000000-00bc03290b6c0bfb7f84	2021-10-21	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-000t-9000000000-7a6ff6606f1dbc2f0ae4	2021-10-21	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-20	View Spectrum

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (retained)	2025-10-24	574.6
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-24	446.9
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-24	45.9
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-24	237.7
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-24	311.8
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (void)	2025-10-24	306.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-24	461.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	852.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-24	859.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	176.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	456.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	187.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	21.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	475.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	854.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-24	84.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	337.0
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-24	663.8
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-24	574.0

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	D-mannose 6-phosphate_TMS_1	C[Si](C)(C)OC1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	1791.96
Gas Chromatography	D-mannose 6-phosphate_TMS_2	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)OC(O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	2576.57
Gas Chromatography	D-mannose 6-phosphate_TMS_3	C[Si](C)(C)O[C@@H]1[C@H](O)C(O)O[C@H](COP(=O)(O)O)[C@H]1O	standard non polar	2025-10-24	2516.99
Gas Chromatography	D-mannose 6-phosphate_TMS_4	C[Si](C)(C)O[C@@H]1C(O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	2150.84
Gas Chromatography	D-mannose 6-phosphate_TMS_5	C[Si](C)(C)OP(=O)(O)OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1817.18
Gas Chromatography	D-mannose 6-phosphate_TMS_6	C[Si](C)(C)OC1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	1867.95
Gas Chromatography	D-mannose 6-phosphate_TMS_7	C[Si](C)(C)OC1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1699.59
Gas Chromatography	D-mannose 6-phosphate_TMS_8	C[Si](C)(C)OC1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1972.04
Gas Chromatography	D-mannose 6-phosphate_TMS_9	C[Si](C)(C)OC1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	1812.33
Gas Chromatography	D-mannose 6-phosphate_TMS_10	C[Si](C)(C)O[C@@H]1C(O)O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1674.24
Gas Chromatography	D-mannose 6-phosphate_TMS_11	C[Si](C)(C)O[C@@H]1[C@H](O)C(O)O[C@H](COP(=O)(O)O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1830.49
Gas Chromatography	D-mannose 6-phosphate_TMS_12	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)OC(O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	2125.6
Gas Chromatography	D-mannose 6-phosphate_TMS_13	C[Si](C)(C)O[C@@H]1C(O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1954.94
Gas Chromatography	D-mannose 6-phosphate_TMS_14	C[Si](C)(C)O[C@@H]1[C@H](O)C(O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1673.55
Gas Chromatography	D-mannose 6-phosphate_TMS_15	C[Si](C)(C)O[C@@H]1C(O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	2223.26
Gas Chromatography	D-mannose 6-phosphate_TMS_16	C[Si](C)(C)OP(=O)(OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	1915.06
Gas Chromatography	D-mannose 6-phosphate_TMS_17	C[Si](C)(C)OC1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1702.15
Gas Chromatography	D-mannose 6-phosphate_TMS_18	C[Si](C)(C)OC1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1486.61
Gas Chromatography	D-mannose 6-phosphate_TMS_19	C[Si](C)(C)OC1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	2480.05
Gas Chromatography	D-mannose 6-phosphate_TMS_20	C[Si](C)(C)OC1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2378.38
Gas Chromatography	D-mannose 6-phosphate_TMS_21	C[Si](C)(C)OC1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1719.61
Gas Chromatography	D-mannose 6-phosphate_TMS_22	C[Si](C)(C)OC1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1934.4
Gas Chromatography	D-mannose 6-phosphate_TMS_23	C[Si](C)(C)OC1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	2270.32
Gas Chromatography	D-mannose 6-phosphate_TMS_24	C[Si](C)(C)O[C@@H]1C(O)O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2216.54
Gas Chromatography	D-mannose 6-phosphate_TMS_25	C[Si](C)(C)O[C@@H]1C(O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1614.95
Gas Chromatography	D-mannose 6-phosphate_TMS_26	C[Si](C)(C)O[C@@H]1[C@H](O)C(O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1489.01
Gas Chromatography	D-mannose 6-phosphate_TMS_27	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	1941.33
Gas Chromatography	D-mannose 6-phosphate_TMS_28	C[Si](C)(C)O[C@@H]1C(O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1454.71
Gas Chromatography	D-mannose 6-phosphate_TMS_29	C[Si](C)(C)O[C@@H]1[C@H](O)C(O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1373.19
Gas Chromatography	D-mannose 6-phosphate_TMS_30	C[Si](C)(C)O[C@@H]1C(O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1716.2
Gas Chromatography	D-mannose 6-phosphate_TMS_31	C[Si](C)(C)OC1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2471.75
Gas Chromatography	D-mannose 6-phosphate_TMS_32	C[Si](C)(C)OC1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1762.93
Gas Chromatography	D-mannose 6-phosphate_TMS_33	C[Si](C)(C)OC1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2572.81
Gas Chromatography	D-mannose 6-phosphate_TMS_34	C[Si](C)(C)OC1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	2568.04
Gas Chromatography	D-mannose 6-phosphate_TMS_35	C[Si](C)(C)OC1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2064.66
Gas Chromatography	D-mannose 6-phosphate_TMS_36	C[Si](C)(C)OC1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2857.07
Gas Chromatography	D-mannose 6-phosphate_TMS_37	C[Si](C)(C)OC1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1229.43
Gas Chromatography	D-mannose 6-phosphate_TMS_38	C[Si](C)(C)O[C@@H]1C(O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2423.25
Gas Chromatography	D-mannose 6-phosphate_TMS_39	C[Si](C)(C)O[C@@H]1C(O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2023.81
Gas Chromatography	D-mannose 6-phosphate_TMS_40	C[Si](C)(C)O[C@@H]1[C@H](O)C(O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1378.39
Gas Chromatography	D-mannose 6-phosphate_TMS_41	C[Si](C)(C)O[C@@H]1C(O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1996.58
Gas Chromatography	D-mannose 6-phosphate_TMS_42	C[Si](C)(C)OC1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2390.74
Gas Chromatography	D-mannose 6-phosphate_TMS_43	C[Si](C)(C)OC1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1306.94
Gas Chromatography	D-mannose 6-phosphate_TMS_44	C[Si](C)(C)OC1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2000.77
Gas Chromatography	D-mannose 6-phosphate_TMS_45	C[Si](C)(C)OC1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2507.8
Gas Chromatography	D-mannose 6-phosphate_TMS_46	C[Si](C)(C)O[C@@H]1C(O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	3179.31
Gas Chromatography	D-mannose 6-phosphate_TMS_47	C[Si](C)(C)OC1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1163.8
Gas Chromatography	D-mannose 6-phosphate_TMS_1	C[Si](C)(C)OC1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@@H]1O	standard polar	2025-10-24	2272.62
Gas Chromatography	D-mannose 6-phosphate_TMS_2	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)OC(O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	2541.36
Gas Chromatography	D-mannose 6-phosphate_TMS_3	C[Si](C)(C)O[C@@H]1[C@H](O)C(O)O[C@H](COP(=O)(O)O)[C@H]1O	standard polar	2025-10-24	2277.06
Gas Chromatography	D-mannose 6-phosphate_TMS_4	C[Si](C)(C)O[C@@H]1C(O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2418.45
Gas Chromatography	D-mannose 6-phosphate_TMS_5	C[Si](C)(C)OP(=O)(O)OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2106.95
Gas Chromatography	D-mannose 6-phosphate_TMS_6	C[Si](C)(C)OC1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O	standard polar	2025-10-24	1454.71
Gas Chromatography	D-mannose 6-phosphate_TMS_7	C[Si](C)(C)OC1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2320.06
Gas Chromatography	D-mannose 6-phosphate_TMS_8	C[Si](C)(C)OC1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2076.07
Gas Chromatography	D-mannose 6-phosphate_TMS_9	C[Si](C)(C)OC1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O	standard polar	2025-10-24	2457.44
Gas Chromatography	D-mannose 6-phosphate_TMS_10	C[Si](C)(C)O[C@@H]1C(O)O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2208.29
Gas Chromatography	D-mannose 6-phosphate_TMS_11	C[Si](C)(C)O[C@@H]1[C@H](O)C(O)O[C@H](COP(=O)(O)O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1909.29
Gas Chromatography	D-mannose 6-phosphate_TMS_12	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)OC(O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	2343.51
Gas Chromatography	D-mannose 6-phosphate_TMS_13	C[Si](C)(C)O[C@@H]1C(O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2101.03
Gas Chromatography	D-mannose 6-phosphate_TMS_14	C[Si](C)(C)O[C@@H]1[C@H](O)C(O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1569.21
Gas Chromatography	D-mannose 6-phosphate_TMS_15	C[Si](C)(C)O[C@@H]1C(O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1525.0
Gas Chromatography	D-mannose 6-phosphate_TMS_16	C[Si](C)(C)OP(=O)(OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	2225.05
Gas Chromatography	D-mannose 6-phosphate_TMS_17	C[Si](C)(C)OC1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1601.6
Gas Chromatography	D-mannose 6-phosphate_TMS_18	C[Si](C)(C)OC1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2622.12
Gas Chromatography	D-mannose 6-phosphate_TMS_19	C[Si](C)(C)OC1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O	standard polar	2025-10-24	2505.95
Gas Chromatography	D-mannose 6-phosphate_TMS_20	C[Si](C)(C)OC1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2174.96
Gas Chromatography	D-mannose 6-phosphate_TMS_21	C[Si](C)(C)OC1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1438.15
Gas Chromatography	D-mannose 6-phosphate_TMS_22	C[Si](C)(C)OC1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2165.72
Gas Chromatography	D-mannose 6-phosphate_TMS_23	C[Si](C)(C)OC1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O	standard polar	2025-10-24	2607.32
Gas Chromatography	D-mannose 6-phosphate_TMS_24	C[Si](C)(C)O[C@@H]1C(O)O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1927.6
Gas Chromatography	D-mannose 6-phosphate_TMS_25	C[Si](C)(C)O[C@@H]1C(O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2220.91
Gas Chromatography	D-mannose 6-phosphate_TMS_26	C[Si](C)(C)O[C@@H]1[C@H](O)C(O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1623.67
Gas Chromatography	D-mannose 6-phosphate_TMS_27	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	1038.9
Gas Chromatography	D-mannose 6-phosphate_TMS_28	C[Si](C)(C)O[C@@H]1C(O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2946.1
Gas Chromatography	D-mannose 6-phosphate_TMS_29	C[Si](C)(C)O[C@@H]1[C@H](O)C(O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2436.69
Gas Chromatography	D-mannose 6-phosphate_TMS_30	C[Si](C)(C)O[C@@H]1C(O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1904.64
Gas Chromatography	D-mannose 6-phosphate_TMS_31	C[Si](C)(C)OC1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1674.88
Gas Chromatography	D-mannose 6-phosphate_TMS_32	C[Si](C)(C)OC1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2375.95
Gas Chromatography	D-mannose 6-phosphate_TMS_33	C[Si](C)(C)OC1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2176.67
Gas Chromatography	D-mannose 6-phosphate_TMS_34	C[Si](C)(C)OC1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O	standard polar	2025-10-24	2514.47
Gas Chromatography	D-mannose 6-phosphate_TMS_35	C[Si](C)(C)OC1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2340.25
Gas Chromatography	D-mannose 6-phosphate_TMS_36	C[Si](C)(C)OC1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	3089.43
Gas Chromatography	D-mannose 6-phosphate_TMS_37	C[Si](C)(C)OC1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2343.56
Gas Chromatography	D-mannose 6-phosphate_TMS_38	C[Si](C)(C)O[C@@H]1C(O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2629.21
Gas Chromatography	D-mannose 6-phosphate_TMS_39	C[Si](C)(C)O[C@@H]1C(O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1663.13
Gas Chromatography	D-mannose 6-phosphate_TMS_40	C[Si](C)(C)O[C@@H]1[C@H](O)C(O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2777.38
Gas Chromatography	D-mannose 6-phosphate_TMS_41	C[Si](C)(C)O[C@@H]1C(O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2453.3
Gas Chromatography	D-mannose 6-phosphate_TMS_42	C[Si](C)(C)OC1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1929.48
Gas Chromatography	D-mannose 6-phosphate_TMS_43	C[Si](C)(C)OC1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2561.99
Gas Chromatography	D-mannose 6-phosphate_TMS_44	C[Si](C)(C)OC1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	3159.21
Gas Chromatography	D-mannose 6-phosphate_TMS_45	C[Si](C)(C)OC1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2009.28
Gas Chromatography	D-mannose 6-phosphate_TMS_46	C[Si](C)(C)O[C@@H]1C(O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2214.71
Gas Chromatography	D-mannose 6-phosphate_TMS_47	C[Si](C)(C)OC1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2048.8

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Fibroblasts
Intestine
Liver
Prostate
Spleen
Testis

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

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
MMDBr0025315	D-Mannose	L-Histidine	Transcriptional regulator ManR	Phosphorylation	RHEA	34755880

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	12	Human feces; Human saliva	Unknown
Bacteria/Eubacteria	Bacteroidetes	1	Human feces
Bacteria/Eubacteria	Proteobacteria	15	Human ; Human sputum; Human subgingival plaque; Human feces; Human feces; pleural fluid plaque; bal
Bacteria	Proteobacteria	5	Human ; Human sputum; Human subgingival plaque; Human feces; Human feces; pleural fluid plaque; bal
Archaea/Archaea	Euryarchaeota	4
Bacteria/Eubacteria	Tenericutes	2	Human
Bacteria	Tenericutes	1	Human
Eukaryota/Fungi	Microsporidia	1
Bacteria/Eubacteria	Firmicutes	3	Human ; Human feces
Eukaryota/Fungi	Basidiomycota	1
Archaea/Archaea	Crenarchaeota	2
Bacteria/Eubacteria	Aquificae	1

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Age	Sex	Health Condition	Data Source	Reference
Human Fibroblasts	Detected but not Quantified	Not Specified	Not Specified	Normal	HMDB	34986597
Human Intestine	Detected but not Quantified	Not Specified	Not Specified	Normal	HMDB	34986597
Human Liver	Detected but not Quantified	Not Specified	Not Specified	Normal	HMDB	34986597
Human Prostate	Detected but not Quantified	Not Specified	Not Specified	Normal	HMDB	34986597
Human Spleen	Detected but not Quantified	Not Specified	Not Specified	Normal	HMDB	34986597
Human Testis	Detected but not Quantified	Not Specified	Not Specified	Normal	HMDB	34986597

External Links

HMDB ID

HMDB0304312

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Mannose_6-phosphate

METLIN ID

Not Available

PubChem Compound

65127

PDB ID

Not Available

ChEBI ID

48066

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Ullrich K, Basner R, Gieselmann V, Von Figura K: Recognition of human urine alpha-N-acetylglucosaminidase by rat hepatocytes. Involvement of receptors specific for galactose, mannose 6-phosphate and mannose. Biochem J. 1979 May 15;180(2):413-9. doi: 10.1042/bj1800413. [PubMed:114170 ]
Kaplan A, Fischer D, Achord D, Sly W: Phosphohexosyl recognition is a general characteristic of pinocytosis of lysosomal glycosidases by human fibroblasts. J Clin Invest. 1977 Nov;60(5):1088-93. doi: 10.1172/JCI108860. [PubMed:908752 ]
van der Ploeg AT, van der Kraaij AM, Willemsen R, Kroos MA, Loonen MC, Koster JF, Reuser AJ: Rat heart perfusion as model system for enzyme replacement therapy in glycogenosis type II. Pediatr Res. 1990 Oct;28(4):344-7. doi: 10.1203/00006450-199010000-00009. [PubMed:2235132 ]
Maguchi S, Taniguchi N, Makita A: Elevated activity and increased mannose-6-phosphate in the carbohydrate moiety of cathepsin D from human hepatoma. Cancer Res. 1988 Jan 15;48(2):362-7. [PubMed:2825973 ]
Lobel P, Dahms NM, Breitmeyer J, Chirgwin JM, Kornfeld S: Cloning of the bovine 215-kDa cation-independent mannose 6-phosphate receptor. Proc Natl Acad Sci U S A. 1987 Apr;84(8):2233-7. doi: 10.1073/pnas.84.8.2233. [PubMed:2951738 ]
Yatziv S, Barfi G, Newburg DS: Lysosomal hydrolases in blood-derived macrophages of patients with I-cell disease. J Lab Clin Med. 1986 Oct;108(4):365-8. [PubMed:3093618 ]
Sleat DE, Sohar I, Lackland H, Majercak J, Lobel P: Rat brain contains high levels of mannose-6-phosphorylated glycoproteins including lysosomal enzymes and palmitoyl-protein thioesterase, an enzyme implicated in infantile neuronal lipofuscinosis. J Biol Chem. 1996 Aug 9;271(32):19191-8. doi: 10.1074/jbc.271.32.19191. [PubMed:8702598 ]
Beljaars L, Molema G, Weert B, Bonnema H, Olinga P, Groothuis GM, Meijer DK, Poelstra K: Albumin modified with mannose 6-phosphate: A potential carrier for selective delivery of antifibrotic drugs to rat and human hepatic stellate cells. Hepatology. 1999 May;29(5):1486-93. doi: 10.1002/hep.510290526. [PubMed:10216133 ]
Holtta-Vuori M, Maatta J, Ullrich O, Kuismanen E, Ikonen E: Mobilization of late-endosomal cholesterol is inhibited by Rab guanine nucleotide dissociation inhibitor. Curr Biol. 2000 Jan 27;10(2):95-8. [PubMed:10662671 ]
Saris JJ, Derkx FH, De Bruin RJ, Dekkers DH, Lamers JM, Saxena PR, Schalekamp MA, Jan Danser AH: High-affinity prorenin binding to cardiac man-6-P/IGF-II receptors precedes proteolytic activation to renin. Am J Physiol Heart Circ Physiol. 2001 Apr;280(4):H1706-15. doi: 10.1152/ajpheart.2001.280.4.H1706. [PubMed:11247783 ]
Davis JA, Wu XH, Wang L, DeRossi C, Westphal V, Wu R, Alton G, Srikrishna G, Freeze HH: Molecular cloning, gene organization, and expression of mouse Mpi encoding phosphomannose isomerase. Glycobiology. 2002 Jul;12(7):435-42. doi: 10.1093/glycob/cwf060. [PubMed:12122025 ]
Puolakkainen M, Kuo CC, Campbell LA: Chlamydia pneumoniae uses the mannose 6-phosphate/insulin-like growth factor 2 receptor for infection of endothelial cells. Infect Immun. 2005 Aug;73(8):4620-5. doi: 10.1128/IAI.73.8.4620-4625.2005. [PubMed:16040974 ]
Tiede S, Muschol N, Reutter G, Cantz M, Ullrich K, Braulke T: Missense mutations in N-acetylglucosamine-1-phosphotransferase alpha/beta subunit gene in a patient with mucolipidosis III and a mild clinical phenotype. Am J Med Genet A. 2005 Sep 1;137A(3):235-40. doi: 10.1002/ajmg.a.30868. [PubMed:16094673 ]
Bird CH, Sun J, Ung K, Karambalis D, Whisstock JC, Trapani JA, Bird PI: Cationic sites on granzyme B contribute to cytotoxicity by promoting its uptake into target cells. Mol Cell Biol. 2005 Sep;25(17):7854-67. doi: 10.1128/MCB.25.17.7854-7867.2005. [PubMed:16107729 ]
DeRossi C, Bode L, Eklund EA, Zhang F, Davis JA, Westphal V, Wang L, Borowsky AD, Freeze HH: Ablation of mouse phosphomannose isomerase (Mpi) causes mannose 6-phosphate accumulation, toxicity, and embryonic lethality. J Biol Chem. 2006 Mar 3;281(9):5916-27. doi: 10.1074/jbc.M511982200. Epub 2005 Dec 8. [PubMed:16339137 ]
Adrian JE, Poelstra K, Scherphof GL, Molema G, Meijer DK, Reker-Smit C, Morselt HW, Kamps JA: Interaction of targeted liposomes with primary cultured hepatic stellate cells: Involvement of multiple receptor systems. J Hepatol. 2006 Mar;44(3):560-7. doi: 10.1016/j.jhep.2005.08.027. Epub 2005 Oct 19. [PubMed:16368158 ]
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Showing metabocard for D-mannose 6-phosphate (MMDBc0033192)

MOL for #<Metabolite:0x00007fc9397aac10>

3D MOL for #<Metabolite:0x00007fc9397aac10>

3D SDF for #<Metabolite:0x00007fc9397aac10>

3D-SDF for #<Metabolite:0x00007fc9397aac10>

PDB for #<Metabolite:0x00007fc9397aac10>

3D PDB for #<Metabolite:0x00007fc9397aac10>

SMILES for #<Metabolite:0x00007fc9397aac10>

INCHI for #<Metabolite:0x00007fc9397aac10>

Structure for #<Metabolite:0x00007fc9397aac10>

3D Structure for #<Metabolite:0x00007fc9397aac10>