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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2021-09-24 08:49:37 UTC

Update Date

2021-09-24 08:49:37 UTC

HMDB ID

HMDB0304312

Secondary Accession Numbers

None

Metabolite Identification

Common Name

D-mannose 6-phosphate

Description

D-mannose 6-phosphate, also known as mannose-6-phosphate disodium salt, is a member of the class of compounds known as hexose phosphates. Hexose phosphates are carbohydrate derivatives containing a hexose substituted by one or more phosphate groups. D-mannose 6-phosphate is soluble (in water) and a moderately acidic compound (based on its pKa). D-mannose 6-phosphate can be found in a number of food items such as bog bilberry, wild celery, common pea, and breadnut tree seed, which makes D-mannose 6-phosphate a potential biomarker for the consumption of these food products. D-mannose 6-phosphate may be a unique S.cerevisiae (yeast) metabolite. The M6P-tagged lysosomal enzymes are shipped to the late endosomes via vesicular transport. Enzyme replacement therapy (ERT) for several lysosomal storage diseases relies on this pathway to efficiently direct synthetic enzymes to the lysosome where each can metabolize its particular substrate. The pH in the late endosome can reach 6.0, which causes dissociation of M6P from its receptor. Upon release, the enzymes are ferried to their final destination in the lysosomes. The MPRs are packed into vesicles that bud off the late endosome and return to the "trans"-Golgi network. In this way, the MPRs can be recycled.

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>
HMDB0304312

> <DATABASE_NAME>
hmdb

> <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

View in JSmol View Stereo Labels

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

Chemical Formula

C₆H₁₃O₉P

Average Molecular Weight

260.1358

Monoisotopic Molecular Weight

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

Not Available

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 )

Ontology

Not Available

Herbs and Spices (FooDB: FOOD00866)

Nut

Almond (FooDB: FOOD00148)
Brazil nut (FooDB: FOOD00024)
Cashew nut (FooDB: FOOD00011)
Chestnut (FooDB: FOOD00045)
Hazelnut (FooDB: FOOD00376)
Peanut (FooDB: FOOD00016)
Pecan nut (FooDB: FOOD00044)
Pine nut (FooDB: FOOD00138)
Pistachio (FooDB: FOOD00140)
Walnut (FooDB: FOOD00608)
Acorn (FooDB: FOOD00282)
Beech nut (FooDB: FOOD00299)
Butternut (FooDB: FOOD00316)
Chinese chestnut (FooDB: FOOD00331)
European chestnut (FooDB: FOOD00363)
Hickory nut (FooDB: FOOD00377)
Macadamia nut (FooDB: FOOD00525)
Mixed nuts (FooDB: FOOD00771)
Pili nut (FooDB: FOOD00432)
Colorado pinyon (FooDB: FOOD00433)
Black walnut (FooDB: FOOD00093)
Common walnut (FooDB: FOOD00094)
Japanese chestnut (FooDB: FOOD00385)
Common hazelnut (FooDB: FOOD00062)
Macadamia nut (M. tetraphylla) (FooDB: FOOD00225)
Japanese walnut (FooDB: FOOD00240)
Nuts (FooDB: FOOD00869)

Fruit

Pome

Drupe

Apricot (FooDB: FOOD00144)
Prunus (Cherry, Plum) (FooDB: FOOD00143)
Nectarine (FooDB: FOOD00229)
Peach (FooDB: FOOD00149)
European plum (FooDB: FOOD00147)
Sour cherry (FooDB: FOOD00146)
Sweet cherry (FooDB: FOOD00145)
Common chokecherry (FooDB: FOOD00562)
Peach (var.) (FooDB: FOOD00230)

Tropical fruit

Berry

Bilberry (FooDB: FOOD00193)
Rubus (Blackberry, Raspberry) (FooDB: FOOD00160)
Vaccinium (Blueberry, Cranberry, Huckleberry) (FooDB: FOOD00188)
Blackcurrant (FooDB: FOOD00155)
Redcurrant (FooDB: FOOD00156)
Elderberry (FooDB: FOOD00358)
Gooseberry (FooDB: FOOD00157)
Grape (FooDB: FOOD00369)
Lingonberry (FooDB: FOOD00194)
Loganberry (FooDB: FOOD00400)
Strawberry (FooDB: FOOD00083)
Boysenberry (FooDB: FOOD00542)
American cranberry (FooDB: FOOD00192)
Common grape (FooDB: FOOD00204)
Strawberry guava (FooDB: FOOD00482)
Black mulberry (FooDB: FOOD00117)
Red raspberry (FooDB: FOOD00162)
Muscadine grape (FooDB: FOOD00203)
Salmonberry (FooDB: FOOD00456)
Alaska blueberry (FooDB: FOOD00380)
Sea-buckthornberry (FooDB: FOOD00087)
Black elderberry (FooDB: FOOD00166)
Black crowberry (FooDB: FOOD00075)
Black huckleberry (FooDB: FOOD00084)
Mulberry (FooDB: FOOD00116)
Black chokeberry (FooDB: FOOD00136)
Cloudberry (FooDB: FOOD00161)
Black raspberry (FooDB: FOOD00163)
Rowanberry (FooDB: FOOD00176)
Lowbush blueberry (FooDB: FOOD00189)
Sparkleberry (FooDB: FOOD00190)
Highbush blueberry (FooDB: FOOD00191)
Arctic blackberry (FooDB: FOOD00207)
Bayberry (FooDB: FOOD00209)
Elliott's blueberry (FooDB: FOOD00210)
Canada blueberry (FooDB: FOOD00211)
Bog bilberry (FooDB: FOOD00212)
Buffalo currant (FooDB: FOOD00213)
European cranberry (FooDB: FOOD00217)
Deerberry (FooDB: FOOD00218)
Cascade huckleberry (FooDB: FOOD00220)
Oval-leaf huckleberry (FooDB: FOOD00221)
Evergreen huckleberry (FooDB: FOOD00222)
Red huckleberry (FooDB: FOOD00223)
Summer grape (FooDB: FOOD00227)
Fox grape (FooDB: FOOD00228)
Half-highbush blueberry (FooDB: FOOD00248)
Jostaberry (FooDB: FOOD00257)
Sweet rowanberry (FooDB: FOOD00265)
Skunk currant (FooDB: FOOD00267)
Squashberry (FooDB: FOOD00344)
Ohelo berry (FooDB: FOOD00419)
Chinese bayberry (FooDB: FOOD00852)
Saskatoon berry (FooDB: FOOD00884)
Nanking cherry (FooDB: FOOD00885)

Other fruit

Date (FooDB: FOOD00135)
Fig (FooDB: FOOD00081)
Jujube (FooDB: FOOD00388)

Citrus

Grapefruit (FooDB: FOOD00256)
Lemon (FooDB: FOOD00054)
Lime (FooDB: FOOD00053)
Sweet orange (FooDB: FOOD00057)
Mandarin orange (Clementine, Tangerine) (FooDB: FOOD00056)
Persian lime (FooDB: FOOD00543)
Pummelo (FooDB: FOOD00055)
Grapefruit/Pummelo hybrid (FooDB: FOOD00255)
Citrus (FooDB: FOOD00859)

Fruits (FooDB: FOOD00871)

Vegetable

Shoot vegetable

Fruit vegetable

Eggplant (FooDB: FOOD00174)
Avocado (FooDB: FOOD00130)
Groundcherry (FooDB: FOOD00371)
Olive (FooDB: FOOD00121)
Pepper (FooDB: FOOD00040)
Garden tomato (FooDB: FOOD00171)
Mexican groundcherry (FooDB: FOOD00491)
Green bell pepper (FooDB: FOOD00877)
Yellow bell pepper (FooDB: FOOD00878)
Red bell pepper (FooDB: FOOD00880)
Italian sweet red pepper (FooDB: FOOD00881)
Garden tomato (var.) (FooDB: FOOD00173)
Cherry tomato (FooDB: FOOD00172)
Pepper (C. baccatum) (FooDB: FOOD00231)
Pepper (C. chinense) (FooDB: FOOD00232)
Pepper (Capsicum) (FooDB: FOOD00233)
Pepper (C. frutescens) (FooDB: FOOD00428)
Pepper (C. pubescens) (FooDB: FOOD00849)
Orange bell pepper (FooDB: FOOD00879)

Root vegetable

Cabbage

Leaf vegetable

Lettuce (FooDB: FOOD00095)
Swiss chard (FooDB: FOOD00237)
Garden cress (FooDB: FOOD00099)
Endive (FooDB: FOOD00048)
Spinach (FooDB: FOOD00178)
Common beet (FooDB: FOOD00025)
Garland chrysanthemum (FooDB: FOOD00333)
Jute (FooDB: FOOD00389)
Lambsquarters (FooDB: FOOD00394)
New Zealand spinach (FooDB: FOOD00415)
Swamp cabbage (FooDB: FOOD00091)
Rocket salad (ssp.) (FooDB: FOOD00077)
Yautia (FooDB: FOOD00510)
Romaine lettuce (FooDB: FOOD00888)
Rocket salad (FooDB: FOOD00244)
Chicory leaves (FooDB: FOOD00250)
Corn salad (FooDB: FOOD00340)
Malabar spinach (FooDB: FOOD00404)
Ostrich fern (FooDB: FOOD00556)
Green vegetables (FooDB: FOOD00872)

Mushroom

Tuber

Onion-family vegetable

Leek (FooDB: FOOD00007)
Allium (FooDB: FOOD00005)
Wild leek (FooDB: FOOD00396)
Shallot (FooDB: FOOD00243)
Garden onion (FooDB: FOOD00006)
Garden onion (var.) (FooDB: FOOD00226)
Onion-family vegetables (FooDB: FOOD00855)
Green onion (FooDB: FOOD00963)
Red onion (FooDB: FOOD00962)

Other vegetable

Okra (FooDB: FOOD00420)
Horseradish tree (FooDB: FOOD00379)
Sacred lotus (FooDB: FOOD00402)
Tree fern (FooDB: FOOD00797)
Chinese water chestnut (FooDB: FOOD00332)
Nopal (FooDB: FOOD00416)
Carob (FooDB: FOOD00321)
Agave (FooDB: FOOD00563)
Narrowleaf cattail (FooDB: FOOD00564)
Giant butterbur (FooDB: FOOD00314)
Sesbania flower (FooDB: FOOD00469)

Stalk vegetable

Brassica

Brassicas (FooDB: FOOD00857)

Cereal and cereal product

Other bread

Other bread (FooDB: FOOD00269)

Cereal

Cereal product

Dough

Sourdough (FooDB: FOOD00275)

Cereals and cereal products (FooDB: FOOD00858)

Pulse

Bean

Lentil

Lentils (FooDB: FOOD00098)

Pea

Other pulse

White lupine (FooDB: FOOD00403)
Lupine (FooDB: FOOD00104)

Pulses (FooDB: FOOD00867)

Soy

Soy bean (FooDB: FOOD00085)

Soy product

Other soy product (FooDB: FOOD00271)

Abalone (FooDB: FOOD00279)
Conch (FooDB: FOOD00611)

Gourd

Chayote (FooDB: FOOD00325)
Cucumber (FooDB: FOOD00065)
Muskmelon (FooDB: FOOD00064)
Cucurbita (FooDB: FOOD00066)
Watermelon (FooDB: FOOD00052)
Bitter gourd (FooDB: FOOD00115)
Calabash (FooDB: FOOD00318)
Towel gourd (FooDB: FOOD00492)
Winter squash (FooDB: FOOD00283)
Butternut squash (FooDB: FOOD00317)
Wax gourd (FooDB: FOOD00499)
Green zucchini (FooDB: FOOD00875)
Yellow zucchini (FooDB: FOOD00876)
Japanese pumpkin (FooDB: FOOD00886)
Sunburst squash (pattypan squash) (FooDB: FOOD00874)
Tinda (FooDB: FOOD00559)
Horned melon (FooDB: FOOD00761)

Tea

Herbal tea

Greenthread tea (FooDB: FOOD00820)

Cocoa and cocoa product

Cocoa

Cocoa bean (FooDB: FOOD00182)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
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

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
AllCCS	[M+H]+	156.792	32859911
AllCCS	[M+H-H2O]+	153.169	32859911
AllCCS	[M+Na]+	161.122	32859911
AllCCS	[M+NH4]+	160.155	32859911
AllCCS	[M-H]-	147.163	32859911
AllCCS	[M+Na-2H]-	147.483	32859911
AllCCS	[M+HCOO]-	147.93	32859911
DeepCCS	[M+H]+	144.888	30932474
DeepCCS	[M-H]-	142.493	30932474
DeepCCS	[M-2H]-	176.901	30932474
DeepCCS	[M+Na]+	152.039	30932474

Predicted Kovats Retention Indices

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
D-mannose 6-phosphate,5TMS,isomer #1	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	2236.6	Semi standard non polar	33892256
D-mannose 6-phosphate,5TMS,isomer #1	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	2242.3	Standard non polar	33892256
D-mannose 6-phosphate,5TMS,isomer #1	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	2583.2	Standard polar	33892256
D-mannose 6-phosphate,5TMS,isomer #2	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	2255.4	Semi standard non polar	33892256
D-mannose 6-phosphate,5TMS,isomer #2	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	2270.8	Standard non polar	33892256
D-mannose 6-phosphate,5TMS,isomer #2	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	2487.0	Standard polar	33892256
D-mannose 6-phosphate,5TMS,isomer #3	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	2274.3	Semi standard non polar	33892256
D-mannose 6-phosphate,5TMS,isomer #3	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	2293.5	Standard non polar	33892256
D-mannose 6-phosphate,5TMS,isomer #3	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	2538.7	Standard polar	33892256
D-mannose 6-phosphate,5TMS,isomer #4	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	2268.9	Semi standard non polar	33892256
D-mannose 6-phosphate,5TMS,isomer #4	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	2268.7	Standard non polar	33892256
D-mannose 6-phosphate,5TMS,isomer #4	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	2499.5	Standard polar	33892256
D-mannose 6-phosphate,5TMS,isomer #5	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	2277.1	Semi standard non polar	33892256
D-mannose 6-phosphate,5TMS,isomer #5	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	2267.0	Standard non polar	33892256
D-mannose 6-phosphate,5TMS,isomer #5	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	2462.1	Standard polar	33892256
D-mannose 6-phosphate,6TMS,isomer #1	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	2288.9	Semi standard non polar	33892256
D-mannose 6-phosphate,6TMS,isomer #1	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	2293.9	Standard non polar	33892256
D-mannose 6-phosphate,6TMS,isomer #1	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	2407.7	Standard polar	33892256
D-mannose 6-phosphate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3237.9	Semi standard non polar	33892256
D-mannose 6-phosphate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3137.6	Standard non polar	33892256
D-mannose 6-phosphate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3009.2	Standard polar	33892256
D-mannose 6-phosphate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3214.7	Semi standard non polar	33892256
D-mannose 6-phosphate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3130.3	Standard non polar	33892256
D-mannose 6-phosphate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	2948.7	Standard polar	33892256
D-mannose 6-phosphate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3228.7	Semi standard non polar	33892256
D-mannose 6-phosphate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3159.5	Standard non polar	33892256
D-mannose 6-phosphate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	2972.5	Standard polar	33892256
D-mannose 6-phosphate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3232.7	Semi standard non polar	33892256
D-mannose 6-phosphate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3123.7	Standard non polar	33892256
D-mannose 6-phosphate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	2957.1	Standard polar	33892256
D-mannose 6-phosphate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1C(O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3275.1	Semi standard non polar	33892256
D-mannose 6-phosphate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1C(O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3139.9	Standard non polar	33892256
D-mannose 6-phosphate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1C(O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	2929.4	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - D-mannose 6-phosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-0005-9740000000-a6e81224fb97751dc2e6	2016-09-22	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-mannose 6-phosphate 10V, Positive-QTOF	splash10-03di-0490000000-94ea79ec673f4688b7a0	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-mannose 6-phosphate 20V, Positive-QTOF	splash10-03dm-5940000000-c649262446626dcb8d6e	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-mannose 6-phosphate 40V, Positive-QTOF	splash10-0uka-9800000000-aae2cb792906d2dec6cd	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-mannose 6-phosphate 10V, Negative-QTOF	splash10-0a6r-8290000000-8e20219f94b3fe964e38	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-mannose 6-phosphate 20V, Negative-QTOF	splash10-004i-9000000000-b19b64f5cb4124047baf	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-mannose 6-phosphate 40V, Negative-QTOF	splash10-004i-9000000000-ecb75a44e3d25affdf31	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-mannose 6-phosphate 10V, Negative-QTOF	splash10-0a6s-9060000000-b446300429049a22bea4	2021-10-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-mannose 6-phosphate 20V, Negative-QTOF	splash10-004i-9000000000-d5aaca13a836cb9f1725	2021-10-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-mannose 6-phosphate 40V, Negative-QTOF	splash10-004i-9000000000-a5e502a2627af2048a1f	2021-10-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-mannose 6-phosphate 10V, Positive-QTOF	splash10-03dm-0970000000-40dbaf3d3c72cf65bf47	2021-10-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-mannose 6-phosphate 20V, Positive-QTOF	splash10-01ot-7900000000-00bc03290b6c0bfb7f84	2021-10-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-mannose 6-phosphate 40V, Positive-QTOF	splash10-000t-9000000000-7a6ff6606f1dbc2f0ae4	2021-10-21	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

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

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for D-mannose 6-phosphate (HMDB0304312)

MOL for HMDB0304312 (D-mannose 6-phosphate)

3D MOL for HMDB0304312 (D-mannose 6-phosphate)

3D SDF for HMDB0304312 (D-mannose 6-phosphate)

3D-SDF for HMDB0304312 (D-mannose 6-phosphate)

PDB for HMDB0304312 (D-mannose 6-phosphate)

3D PDB for HMDB0304312 (D-mannose 6-phosphate)

SMILES for HMDB0304312 (D-mannose 6-phosphate)

INCHI for HMDB0304312 (D-mannose 6-phosphate)

Structure for HMDB0304312 (D-mannose 6-phosphate)

3D Structure for HMDB0304312 (D-mannose 6-phosphate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra