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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (5) Show 5 proteins XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2007-05-23 00:52:50 UTC

Update Date

2021-09-14 15:44:39 UTC

HMDB ID

HMDB0006330

Secondary Accession Numbers

HMDB0001436
HMDB01436
HMDB06330

Metabolite Identification

Common Name

D-Mannose 1-phosphate

Description

D-Mannose 1-phosphate (CAS: 27251-84-9) is a normal metabolite intermediate in fructose and mannose metabolism. It is a substrate of phosphomannomutase 1 (PMM, EC 5.4.2.8), an enzyme necessary for the synthesis of GDP-mannose (a substrate for dolichol-linked oligosaccharide synthesis). PMM converts mannose 6-phosphate into mannose-1-phosphate. A deficiency of phosphomannomutase in carbohydrate-deficient glycoprotein syndrome (CDGS) type I is associated with a decreased synthesis of mannose 1-phosphate. CDGS is a group of autosomal recessively transmitted disorders in which abnormally glycosylated proteins are formed (PMID: 9451026 , 8549746 , 12729595 ).

Structure

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

HMDB0006330
     RDKit          3D
D-Mannose 1-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
    3.2223   -2.5369    0.3960 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0430   -1.0267    0.3913 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.2531   -0.4040    1.4271 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2825   -0.4456   -1.1552 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5648   -0.6693    1.0435 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6348   -0.2004    0.0866 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3851   -1.1053    0.0449 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6496   -0.5904    0.1340 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6384   -1.6597   -0.2589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5152   -2.7541    0.5984 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7539    0.5561   -0.8636 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0665    0.9075   -1.0976 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9748    1.7067   -0.2128 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7356    2.7347   -1.0935 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2678    1.1840    0.4640 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3228    2.0312    0.0528 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1513   -0.6168    1.1079 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0822   -0.9277   -1.5320 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1141   -0.1732   -0.9277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9171   -0.1961    1.1383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4216   -1.9884   -1.2973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6862   -1.3009   -0.1882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5705   -2.9400    0.8117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1961    0.3118   -1.7882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4665    1.1450   -0.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6455    2.0800    0.6018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6124    3.5615   -0.5595 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2347    1.2805    1.5678 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0616    2.0368    0.6919 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  6
 12 25  1  0
 13 26  1  1
 14 27  1  0
 15 28  1  1
 16 29  1  0
M  END


  Mrv1652309042000322D          

 16 16  0  0  0  0            999 V2000
 9999.644810001.0869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.930310001.4994    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
 9999.343910002.2131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.211710001.0848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.518810002.2131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.0745 9998.6119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.7882 9999.0235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.213810000.2619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2138 9998.6119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6448 9997.7868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.644010000.2614    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.9295 9999.8489    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.9295 9999.0238    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9999.6440 9998.6114    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10000.3585 9999.0238    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.3585 9999.8489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  6  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 11 16  1  0  0  0  0
 15 16  1  0  0  0  0
 11  1  1  1  0  0  0
 15  6  1  6  0  0  0
 14 10  1  1  0  0  0
 13  9  1  6  0  0  0
 12  8  1  6  0  0  0
M  END
> <DATABASE_ID>
HMDB0006330

> <DATABASE_NAME>
hmdb

> <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-RWOPYEJCSA-N

> <FORMULA>
C6H13O9P

> <MOLECULAR_WEIGHT>
260.1358

> <EXACT_MASS>
260.029718526

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
20.790098772255853

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2R,3S,4S,5S,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>
α-D-mannose 1-phosphate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0006330
     RDKit          3D
D-Mannose 1-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
    3.2223   -2.5369    0.3960 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0430   -1.0267    0.3913 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.2531   -0.4040    1.4271 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2825   -0.4456   -1.1552 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5648   -0.6693    1.0435 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6348   -0.2004    0.0866 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3851   -1.1053    0.0449 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6496   -0.5904    0.1340 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6384   -1.6597   -0.2589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5152   -2.7541    0.5984 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7539    0.5561   -0.8636 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0665    0.9075   -1.0976 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9748    1.7067   -0.2128 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7356    2.7347   -1.0935 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2678    1.1840    0.4640 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3228    2.0312    0.0528 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1513   -0.6168    1.1079 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0822   -0.9277   -1.5320 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1141   -0.1732   -0.9277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9171   -0.1961    1.1383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4216   -1.9884   -1.2973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6862   -1.3009   -0.1882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5705   -2.9400    0.8117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1961    0.3118   -1.7882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4665    1.1450   -0.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6455    2.0800    0.6018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6124    3.5615   -0.5595 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2347    1.2805    1.5678 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0616    2.0368    0.6919 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  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                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  O   UNK     0    8666.0048668.696   0.000  0.00  0.00           O+0
HETATM    2  P   UNK     0    8664.6708669.466   0.000  0.00  0.00           P+0
HETATM    3  O   UNK     0    8665.4428670.798   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0    8663.3298668.692   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0    8663.9028670.798   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0    8668.6728664.076   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0    8670.0058664.844   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0    8663.3328667.156   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0    8663.3328664.076   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0    8666.0048662.535   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0    8666.0028667.155   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8664.6688666.385   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8664.6688664.844   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8666.0028664.075   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8667.3368664.844   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0    8667.3368666.385   0.000  0.00  0.00           O+0
CONECT    1    2   11                                                       
CONECT    2    1    3    4    5                                             
CONECT    3    2                                                            
CONECT    4    2                                                            
CONECT    5    2                                                            
CONECT    6    7   15                                                       
CONECT    7    6                                                            
CONECT    8   12                                                            
CONECT    9   13                                                            
CONECT   10   14                                                            
CONECT   11   12   16    1                                                  
CONECT   12   11   13    8                                                  
CONECT   13   12   14    9                                                  
CONECT   14   13   15   10                                                  
CONECT   15   14   16    6                                                  
CONECT   16   11   15                                                       
MASTER        0    0    0    0    0    0    0    0   16    0   32    0
END

COMPND    HMDB0006330
HETATM    1  O1  UNL     1       3.222  -2.537   0.396  1.00  0.00           O  
HETATM    2  P1  UNL     1       3.043  -1.027   0.391  1.00  0.00           P  
HETATM    3  O2  UNL     1       4.253  -0.404   1.427  1.00  0.00           O  
HETATM    4  O3  UNL     1       3.282  -0.446  -1.155  1.00  0.00           O  
HETATM    5  O4  UNL     1       1.565  -0.669   1.043  1.00  0.00           O  
HETATM    6  C1  UNL     1       0.635  -0.200   0.087  1.00  0.00           C  
HETATM    7  O5  UNL     1      -0.385  -1.105   0.045  1.00  0.00           O  
HETATM    8  C2  UNL     1      -1.650  -0.590   0.134  1.00  0.00           C  
HETATM    9  C3  UNL     1      -2.638  -1.660  -0.259  1.00  0.00           C  
HETATM   10  O6  UNL     1      -2.515  -2.754   0.598  1.00  0.00           O  
HETATM   11  C4  UNL     1      -1.754   0.556  -0.864  1.00  0.00           C  
HETATM   12  O7  UNL     1      -3.066   0.908  -1.098  1.00  0.00           O  
HETATM   13  C5  UNL     1      -0.975   1.707  -0.213  1.00  0.00           C  
HETATM   14  O8  UNL     1      -0.736   2.735  -1.094  1.00  0.00           O  
HETATM   15  C6  UNL     1       0.268   1.184   0.464  1.00  0.00           C  
HETATM   16  O9  UNL     1       1.323   2.031   0.053  1.00  0.00           O  
HETATM   17  H1  UNL     1       5.151  -0.617   1.108  1.00  0.00           H  
HETATM   18  H2  UNL     1       4.082  -0.928  -1.532  1.00  0.00           H  
HETATM   19  H3  UNL     1       1.114  -0.173  -0.928  1.00  0.00           H  
HETATM   20  H4  UNL     1      -1.917  -0.196   1.138  1.00  0.00           H  
HETATM   21  H5  UNL     1      -2.422  -1.988  -1.297  1.00  0.00           H  
HETATM   22  H6  UNL     1      -3.686  -1.301  -0.188  1.00  0.00           H  
HETATM   23  H7  UNL     1      -1.570  -2.940   0.812  1.00  0.00           H  
HETATM   24  H8  UNL     1      -1.196   0.312  -1.788  1.00  0.00           H  
HETATM   25  H9  UNL     1      -3.467   1.145  -0.221  1.00  0.00           H  
HETATM   26  H10 UNL     1      -1.646   2.080   0.602  1.00  0.00           H  
HETATM   27  H11 UNL     1      -0.612   3.562  -0.559  1.00  0.00           H  
HETATM   28  H12 UNL     1       0.235   1.280   1.568  1.00  0.00           H  
HETATM   29  H13 UNL     1       2.062   2.037   0.692  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

HMDB0006330
     RDKit          3D
D-Mannose 1-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
    3.2223   -2.5369    0.3960 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0430   -1.0267    0.3913 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.2531   -0.4040    1.4271 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2825   -0.4456   -1.1552 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5648   -0.6693    1.0435 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6348   -0.2004    0.0866 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3851   -1.1053    0.0449 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6496   -0.5904    0.1340 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6384   -1.6597   -0.2589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5152   -2.7541    0.5984 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7539    0.5561   -0.8636 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0665    0.9075   -1.0976 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9748    1.7067   -0.2128 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7356    2.7347   -1.0935 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2678    1.1840    0.4640 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3228    2.0312    0.0528 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1513   -0.6168    1.1079 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0822   -0.9277   -1.5320 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1141   -0.1732   -0.9277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9171   -0.1961    1.1383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4216   -1.9884   -1.2973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6862   -1.3009   -0.1882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5705   -2.9400    0.8117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1961    0.3118   -1.7882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4665    1.1450   -0.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6455    2.0800    0.6018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6124    3.5615   -0.5595 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2347    1.2805    1.5678 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0616    2.0368    0.6919 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  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 NMR Assignments View Stereo Labels

Synonyms

Value	Source
1-O-Phosphono-alpha-D-mannopyranose	ChEBI
alpha-D-Mannose 1-phosphate	Kegg
1-O-Phosphono-a-D-mannopyranose	Generator
1-O-Phosphono-α-D-mannopyranose	Generator
a-D-Mannose 1-phosphate	Generator
a-D-Mannose 1-phosphoric acid	Generator
alpha-D-Mannose 1-phosphoric acid	Generator
Α-D-mannose 1-phosphate	Generator
Α-D-mannose 1-phosphoric acid	Generator
D-Mannose 1-phosphoric acid	Generator
Mannose phosphate	HMDB
Mannosyl phosphate	HMDB
alpha-D-Mannopyranosyl phosphate	HMDB
Α-D-mannopyranosyl phosphate	HMDB
D-Mannose 1-phosphate	HMDB

Chemical Formula

C₆H₁₃O₉P

Average Molecular Weight

260.1358

Monoisotopic Molecular Weight

260.029718526

IUPAC Name

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

Traditional Name

α-D-mannose 1-phosphate

CAS Registry Number

15978-07-1

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-RWOPYEJCSA-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

alpha-D-hexose 1-phosphate (CHEBI:18205 )
D-mannose 1-phosphate (CHEBI:18205 )

Ontology

Not Available

Physical Properties

State

Solid

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

Experimental Collision Cross Sections

Adduct Type	Data Source	CCS Value (Å²)	Reference
[M-H]-	MetCCS_train_neg	143.987	30932474
[M-H]-	Not Available	143.987	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000402

Predicted Molecular 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	20.79 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
DeepCCS	[M+H]+	142.484	30932474
DeepCCS	[M-H]-	140.089	30932474
DeepCCS	[M-2H]-	174.761	30932474
DeepCCS	[M+Na]+	149.443	30932474
AllCCS	[M+H]+	156.8	32859911
AllCCS	[M+H-H2O]+	153.2	32859911
AllCCS	[M+NH4]+	160.2	32859911
AllCCS	[M+Na]+	161.2	32859911
AllCCS	[M-H]-	146.2	32859911
AllCCS	[M+Na-2H]-	146.5	32859911
AllCCS	[M+HCOO]-	146.9	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
D-Mannose 1-phosphate	OC[C@H]1O[C@H](OP(O)(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O	2971.1	Standard polar	33892256
D-Mannose 1-phosphate	OC[C@H]1O[C@H](OP(O)(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O	2204.1	Standard non polar	33892256
D-Mannose 1-phosphate	OC[C@H]1O[C@H](OP(O)(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O	2241.4	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
D-Mannose 1-phosphate,1TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H]1O	2170.1	Semi standard non polar	33892256
D-Mannose 1-phosphate,1TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)(O)O	2110.0	Semi standard non polar	33892256
D-Mannose 1-phosphate,1TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)(O)O)O[C@H](CO)[C@H]1O	2104.3	Semi standard non polar	33892256
D-Mannose 1-phosphate,1TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O)O)[C@@H](O)[C@H]1O	2113.5	Semi standard non polar	33892256
D-Mannose 1-phosphate,1TMS,isomer #5	C[Si](C)(C)OP(=O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	2173.1	Semi standard non polar	33892256
D-Mannose 1-phosphate,2TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2119.8	Semi standard non polar	33892256
D-Mannose 1-phosphate,2TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	2153.0	Semi standard non polar	33892256
D-Mannose 1-phosphate,2TMS,isomer #11	C[Si](C)(C)OP(=O)(O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	2194.1	Semi standard non polar	33892256
D-Mannose 1-phosphate,2TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2122.7	Semi standard non polar	33892256
D-Mannose 1-phosphate,2TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2132.5	Semi standard non polar	33892256
D-Mannose 1-phosphate,2TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	2188.9	Semi standard non polar	33892256
D-Mannose 1-phosphate,2TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)(O)O	2110.0	Semi standard non polar	33892256
D-Mannose 1-phosphate,2TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O)O[C@@H]1CO	2086.1	Semi standard non polar	33892256
D-Mannose 1-phosphate,2TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)(O)O[Si](C)(C)C	2162.5	Semi standard non polar	33892256
D-Mannose 1-phosphate,2TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)(O)O)O[C@H](CO)[C@H]1O[Si](C)(C)C	2096.0	Semi standard non polar	33892256
D-Mannose 1-phosphate,2TMS,isomer #9	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)O[C@H](CO)[C@H]1O	2160.7	Semi standard non polar	33892256
D-Mannose 1-phosphate,3TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2124.2	Semi standard non polar	33892256
D-Mannose 1-phosphate,3TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)O[C@@H]1CO	2120.4	Semi standard non polar	33892256
D-Mannose 1-phosphate,3TMS,isomer #11	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2116.3	Semi standard non polar	33892256
D-Mannose 1-phosphate,3TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)O[C@H](CO)[C@H]1O[Si](C)(C)C	2119.5	Semi standard non polar	33892256
D-Mannose 1-phosphate,3TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO)[C@H]1O	2124.3	Semi standard non polar	33892256
D-Mannose 1-phosphate,3TMS,isomer #14	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	2105.0	Semi standard non polar	33892256
D-Mannose 1-phosphate,3TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2123.3	Semi standard non polar	33892256
D-Mannose 1-phosphate,3TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2104.2	Semi standard non polar	33892256
D-Mannose 1-phosphate,3TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2118.8	Semi standard non polar	33892256
D-Mannose 1-phosphate,3TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2119.4	Semi standard non polar	33892256
D-Mannose 1-phosphate,3TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2103.6	Semi standard non polar	33892256
D-Mannose 1-phosphate,3TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	2126.0	Semi standard non polar	33892256
D-Mannose 1-phosphate,3TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@H]1OP(=O)(O)O	2126.4	Semi standard non polar	33892256
D-Mannose 1-phosphate,3TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)(O)O[Si](C)(C)C	2119.6	Semi standard non polar	33892256
D-Mannose 1-phosphate,4TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2139.3	Semi standard non polar	33892256
D-Mannose 1-phosphate,4TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H]1CO	2186.2	Semi standard non polar	33892256
D-Mannose 1-phosphate,4TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO)[C@H]1O[Si](C)(C)C	2185.6	Semi standard non polar	33892256
D-Mannose 1-phosphate,4TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2159.3	Semi standard non polar	33892256
D-Mannose 1-phosphate,4TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2162.1	Semi standard non polar	33892256
D-Mannose 1-phosphate,4TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2128.2	Semi standard non polar	33892256
D-Mannose 1-phosphate,4TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2155.0	Semi standard non polar	33892256
D-Mannose 1-phosphate,4TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2171.7	Semi standard non polar	33892256
D-Mannose 1-phosphate,4TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2127.0	Semi standard non polar	33892256
D-Mannose 1-phosphate,4TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@H]1OP(=O)(O)O[Si](C)(C)C	2169.6	Semi standard non polar	33892256
D-Mannose 1-phosphate,4TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2190.0	Semi standard non polar	33892256
D-Mannose 1-phosphate,5TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](OP(=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	2170.2	Semi standard non polar	33892256
D-Mannose 1-phosphate,5TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](OP(=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	2203.3	Standard non polar	33892256
D-Mannose 1-phosphate,5TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](OP(=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	2588.2	Standard polar	33892256
D-Mannose 1-phosphate,5TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@H](OP(=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	2183.8	Semi standard non polar	33892256
D-Mannose 1-phosphate,5TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@H](OP(=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	2240.0	Standard non polar	33892256
D-Mannose 1-phosphate,5TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@H](OP(=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	2518.6	Standard polar	33892256
D-Mannose 1-phosphate,5TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@H](OP(=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	2180.4	Semi standard non polar	33892256
D-Mannose 1-phosphate,5TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@H](OP(=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	2251.0	Standard non polar	33892256
D-Mannose 1-phosphate,5TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@H](OP(=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	2484.5	Standard polar	33892256
D-Mannose 1-phosphate,5TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@H](OP(=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	2178.4	Semi standard non polar	33892256
D-Mannose 1-phosphate,5TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@H](OP(=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	2242.0	Standard non polar	33892256
D-Mannose 1-phosphate,5TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@H](OP(=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	2494.6	Standard polar	33892256
D-Mannose 1-phosphate,5TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2194.1	Semi standard non polar	33892256
D-Mannose 1-phosphate,5TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2213.5	Standard non polar	33892256
D-Mannose 1-phosphate,5TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2475.5	Standard polar	33892256
D-Mannose 1-phosphate,6TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](OP(=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	2220.2	Semi standard non polar	33892256
D-Mannose 1-phosphate,6TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](OP(=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	2279.1	Standard non polar	33892256
D-Mannose 1-phosphate,6TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](OP(=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	2440.7	Standard polar	33892256
D-Mannose 1-phosphate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H]1O	2416.7	Semi standard non polar	33892256
D-Mannose 1-phosphate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)(O)O	2388.0	Semi standard non polar	33892256
D-Mannose 1-phosphate,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)(O)O)O[C@H](CO)[C@H]1O	2386.8	Semi standard non polar	33892256
D-Mannose 1-phosphate,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O)O)[C@@H](O)[C@H]1O	2388.0	Semi standard non polar	33892256
D-Mannose 1-phosphate,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	2422.3	Semi standard non polar	33892256
D-Mannose 1-phosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	2562.8	Semi standard non polar	33892256
D-Mannose 1-phosphate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	2606.1	Semi standard non polar	33892256
D-Mannose 1-phosphate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OP(=O)(O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	2629.9	Semi standard non polar	33892256
D-Mannose 1-phosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	2576.9	Semi standard non polar	33892256
D-Mannose 1-phosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	2571.1	Semi standard non polar	33892256
D-Mannose 1-phosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	2631.0	Semi standard non polar	33892256
D-Mannose 1-phosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)(O)O	2561.8	Semi standard non polar	33892256
D-Mannose 1-phosphate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O)O[C@@H]1CO	2549.3	Semi standard non polar	33892256
D-Mannose 1-phosphate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	2612.5	Semi standard non polar	33892256
D-Mannose 1-phosphate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)(O)O)O[C@H](CO)[C@H]1O[Si](C)(C)C(C)(C)C	2552.5	Semi standard non polar	33892256
D-Mannose 1-phosphate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H]1O	2606.6	Semi standard non polar	33892256
D-Mannose 1-phosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	2757.5	Semi standard non polar	33892256
D-Mannose 1-phosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H]1CO	2762.7	Semi standard non polar	33892256
D-Mannose 1-phosphate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2777.2	Semi standard non polar	33892256
D-Mannose 1-phosphate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H]1O[Si](C)(C)C(C)(C)C	2754.8	Semi standard non polar	33892256
D-Mannose 1-phosphate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H]1O	2776.1	Semi standard non polar	33892256
D-Mannose 1-phosphate,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	2764.1	Semi standard non polar	33892256
D-Mannose 1-phosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	2759.8	Semi standard non polar	33892256
D-Mannose 1-phosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	2785.7	Semi standard non polar	33892256
D-Mannose 1-phosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	2741.7	Semi standard non polar	33892256
D-Mannose 1-phosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	2784.7	Semi standard non polar	33892256
D-Mannose 1-phosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	2775.7	Semi standard non polar	33892256
D-Mannose 1-phosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	2788.5	Semi standard non polar	33892256
D-Mannose 1-phosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@@H]1OP(=O)(O)O	2745.2	Semi standard non polar	33892256
D-Mannose 1-phosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	2767.1	Semi standard non polar	33892256
D-Mannose 1-phosphate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)O)[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	2970.8	Semi standard non polar	33892256
D-Mannose 1-phosphate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H]1CO	2977.4	Semi standard non polar	33892256
D-Mannose 1-phosphate,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H]1O[Si](C)(C)C(C)(C)C	2971.3	Semi standard non polar	33892256
D-Mannose 1-phosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=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	2974.6	Semi standard non polar	33892256
D-Mannose 1-phosphate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)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	2976.5	Semi standard non polar	33892256
D-Mannose 1-phosphate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=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	2970.7	Semi standard non polar	33892256
D-Mannose 1-phosphate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)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	2970.0	Semi standard non polar	33892256
D-Mannose 1-phosphate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=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	2972.7	Semi standard non polar	33892256
D-Mannose 1-phosphate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	2958.4	Semi standard non polar	33892256
D-Mannose 1-phosphate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	2971.2	Semi standard non polar	33892256
D-Mannose 1-phosphate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2974.5	Semi standard non polar	33892256
D-Mannose 1-phosphate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=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	3192.1	Semi standard non polar	33892256
D-Mannose 1-phosphate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=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	3106.6	Standard non polar	33892256
D-Mannose 1-phosphate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=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	3022.0	Standard polar	33892256
D-Mannose 1-phosphate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=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	3184.1	Semi standard non polar	33892256
D-Mannose 1-phosphate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=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	3104.0	Standard non polar	33892256
D-Mannose 1-phosphate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=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	2980.3	Standard polar	33892256
D-Mannose 1-phosphate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=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	3185.9	Semi standard non polar	33892256
D-Mannose 1-phosphate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=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	3118.0	Standard non polar	33892256
D-Mannose 1-phosphate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=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	2953.5	Standard polar	33892256
D-Mannose 1-phosphate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=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	3177.0	Semi standard non polar	33892256
D-Mannose 1-phosphate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=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	3102.5	Standard non polar	33892256
D-Mannose 1-phosphate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=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	2965.1	Standard polar	33892256
D-Mannose 1-phosphate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3186.2	Semi standard non polar	33892256
D-Mannose 1-phosphate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3085.0	Standard non polar	33892256
D-Mannose 1-phosphate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2943.0	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - D-Mannose 1-phosphate GC-MS (6 TMS)	splash10-014i-1893000000-0ec9e139257029be0d07	2020-03-03	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - D-Mannose 1-phosphate GC-MS (Non-derivatized)	splash10-014i-1893000000-0ec9e139257029be0d07	2020-03-03	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Mannose 1-phosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-9110000000-ee60e23a7f8053dae6d3	2016-09-22	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Mannose 1-phosphate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - D-Mannose 1-phosphate LC-ESI-QQ 10V, negative-QTOF	splash10-0a4i-0090000000-2e5875c3e22b2e3a71a1	2020-07-21	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - D-Mannose 1-phosphate LC-ESI-QQ 20V, negative-QTOF	splash10-052b-9040000000-89ecbcd295c6d0384f71	2020-07-21	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - D-Mannose 1-phosphate LC-ESI-QQ 30V, negative-QTOF	splash10-002b-9000000000-14994c7e3eb1e8740c0c	2020-07-21	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - D-Mannose 1-phosphate LC-ESI-QQ 40V, negative-QTOF	splash10-004j-9000000000-d9caf3d442b3d1049cb7	2020-07-21	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - D-Mannose 1-phosphate LC-ESI-QQ 50V, negative-QTOF	splash10-004i-9000000000-d811f3fa31d259632f06	2020-07-21	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - D-Mannose 1-phosphate LC-ESI-QTOF 32V, negative-QTOF	splash10-002b-9010000000-8a25a18fb090da386513	2020-07-21	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - D-Mannose 1-phosphate Orbitrap 5V, negative-QTOF	splash10-014i-0000090000-6be9a8a818482ea3cdc0	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - D-Mannose 1-phosphate Orbitrap 7V, negative-QTOF	splash10-066r-0080090000-079a2526bc0a82c74128	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - D-Mannose 1-phosphate Orbitrap 10V, negative-QTOF	splash10-0a4i-0090010000-67955d75fc73e364bf18	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - D-Mannose 1-phosphate Orbitrap 13V, negative-QTOF	splash10-0a4i-0090000000-95f1d24de8e759cab1f5	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - D-Mannose 1-phosphate Orbitrap 17V, negative-QTOF	splash10-0a4i-4090000000-d83cbd491021191292e0	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - D-Mannose 1-phosphate Orbitrap 21V, negative-QTOF	splash10-052b-9040000000-0f0c04a19b0af9146da8	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - D-Mannose 1-phosphate Orbitrap 25V, negative-QTOF	splash10-0002-9010000000-c9bc8b9da20017c781ab	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - D-Mannose 1-phosphate Orbitrap 29V, negative-QTOF	splash10-002b-9000000000-227ba0ed92621a8da230	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - D-Mannose 1-phosphate Orbitrap 34V, negative-QTOF	splash10-004j-9000000000-e52ce7e33a84536729c5	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - D-Mannose 1-phosphate Orbitrap 40V, negative-QTOF	splash10-004j-9000000000-90073d80126ab47a6be6	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - D-Mannose 1-phosphate Orbitrap 48V, negative-QTOF	splash10-004i-9000000000-ee9b279cec8affdff472	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - D-Mannose 1-phosphate n/a 18V, negative-QTOF	splash10-0a4i-0092300000-ec5386566d535bcfb5c4	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - D-Mannose 1-phosphate Orbitrap 3V, negative-QTOF	splash10-0a4i-0090000000-487f81588e1cfed3c7c3	2020-07-22	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Mannose 1-phosphate 10V, Positive-QTOF	splash10-0002-9240000000-0a7885872856fe43526b	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Mannose 1-phosphate 20V, Positive-QTOF	splash10-0002-9240000000-b437590c213fb263989d	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Mannose 1-phosphate 40V, Positive-QTOF	splash10-0532-9100000000-97504a02d14244b901cb	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Mannose 1-phosphate 10V, Negative-QTOF	splash10-0a6r-9360000000-98c3aee1d36863dc12ab	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Mannose 1-phosphate 20V, Negative-QTOF	splash10-004i-9110000000-92ad15ffc9eae3eed039	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Mannose 1-phosphate 40V, Negative-QTOF	splash10-004i-9000000000-dfc211275bafe42581ae	2016-09-12	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Not Available

Tissue Locations

Placenta

Pathways

Name	SMPDB/PathBank	KEGG
Fructose and mannose metabolism	Not Available
Fructosuria		Not Available
Fructose intolerance, hereditary		Not Available

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

BiGG ID

Not Available

Wikipedia Link

Mannose_1-phosphate

METLIN ID

Not Available

PubChem Compound

439279

PDB ID

Not Available

ChEBI ID

18205

Food Biomarker Ontology

Not Available

VMH ID

MAN1P

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Korner C, Lehle L, von Figura K: Abnormal synthesis of mannose 1-phosphate derived carbohydrates in carbohydrate-deficient glycoprotein syndrome type I fibroblasts with phosphomannomutase deficiency. Glycobiology. 1998 Feb;8(2):165-71. [PubMed:9451026 ]
Van Schaftingen E, Jaeken J: Phosphomannomutase deficiency is a cause of carbohydrate-deficient glycoprotein syndrome type I. FEBS Lett. 1995 Dec 27;377(3):318-20. [PubMed:8549746 ]
Orvisky E, Stubblefield B, Long RT, Martin BM, Sidransky E, Krasnewich D: Phosphomannomutase activity in congenital disorders of glycosylation type Ia determined by direct analysis of the interconversion of mannose-1-phosphate to mannose-6-phosphate by high-pH anion-exchange chromatography with pulsed amperometric detection. Anal Biochem. 2003 Jun 1;317(1):12-8. [PubMed:12729595 ]
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 ]

Enzymes

Enzyme Details

1. Phosphomannomutase 2

General function:: Involved in catalytic activity
Specific function:: Involved in the synthesis of the GDP-mannose and dolichol-phosphate-mannose required for a number of critical mannosyl transfer reactions (By similarity).
Gene Name:: PMM2
Uniprot ID:: O15305
Molecular weight:: 28081.925

Reactions

D-Mannose 1-phosphate → Mannose 6-phosphate	details
Mannose 6-phosphate → D-Mannose 1-phosphate	details

Enzyme Details

2. Phosphomannomutase 1

General function:: Involved in metal ion binding
Specific function:: Involved in the synthesis of the GDP-mannose and dolichol-phosphate-mannose required for a number of critical mannosyl transfer reactions. In addition, may be responsible for the degradation of glucose-1,6-bisphosphate in ischemic brain.
Gene Name:: PMM1
Uniprot ID:: Q92871
Molecular weight:: 29746.545

Reactions

D-Mannose 1-phosphate → Mannose 6-phosphate	details
Mannose 6-phosphate → D-Mannose 1-phosphate	details

Enzyme Details

3. Mannose-1-phosphate guanyltransferase beta

General function:: Involved in transferase activity
Specific function:: Not Available
Gene Name:: GMPPB
Uniprot ID:: Q9Y5P6
Molecular weight:: 42649.34

Reactions

Guanosine triphosphate + D-Mannose 1-phosphate → Pyrophosphate + Guanosine diphosphate mannose	details

Enzyme Details

4. Mannose-1-phosphate guanyltransferase alpha

General function:: Involved in transferase activity
Specific function:: Not Available
Gene Name:: GMPPA
Uniprot ID:: Q96IJ6
Molecular weight:: 46290.785

Reactions

Guanosine triphosphate + D-Mannose 1-phosphate → Pyrophosphate + Guanosine diphosphate mannose	details

Enzyme Details

5. Phosphoglucomutase-2

General function:: Involved in intramolecular transferase activity, phosphotransferases
Specific function:: Catalyzes the conversion of the nucleoside breakdown products ribose-1-phosphate and deoxyribose-1-phosphate to the corresponding 5-phosphopentoses. May also catalyze the interconversion of glucose-1-phosphate and glucose-6-phosphate. Has low glucose 1,6-bisphosphate synthase activity.
Gene Name:: PGM2
Uniprot ID:: Q96G03
Molecular weight:: 68282.765

Showing metabocard for D-Mannose 1-phosphate (HMDB0006330)

MOL for HMDB0006330 (D-Mannose 1-phosphate)

3D MOL for HMDB0006330 (D-Mannose 1-phosphate)

3D SDF for HMDB0006330 (D-Mannose 1-phosphate)

3D-SDF for HMDB0006330 (D-Mannose 1-phosphate)

PDB for HMDB0006330 (D-Mannose 1-phosphate)

3D PDB for HMDB0006330 (D-Mannose 1-phosphate)

SMILES for HMDB0006330 (D-Mannose 1-phosphate)

INCHI for HMDB0006330 (D-Mannose 1-phosphate)

Structure for HMDB0006330 (D-Mannose 1-phosphate)

3D Structure for HMDB0006330 (D-Mannose 1-phosphate)

Experimental Collision Cross Sections

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions

Reactions

Reactions

Reactions