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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2022-03-07 02:49:10 UTC

HMDB ID

HMDB0001530

Secondary Accession Numbers

HMDB01530

Metabolite Identification

Common Name

Mannitol 1-phosphate

Description

Mannitol 1-phosphate is a sugar alcohol. Mannitol 1-phosphate dehydrogenase (EC 1.1.1.17) reduces fructose 6-phosphate into mannitol 1-phosphate in the gastrointestinal tract of mammals and the mannitol cycle of organisms such as Lactobacillus plantarum, a lactic acid bacterium found in many fermented food products. Mannitol 1-phosphate is also produced in many organisms that have a range of biological interactions with humans (e.g. A. niger, A. parasiticus, B. subtilis, C. difficile, E. faecalis, E. coli, K. pneumoniae, L. salivarius, M. hyopneumoniae, M. mycoides, M. pneumoniae, P. multocida, S. typhi, S. typhimurium, S. aureus, S. pneumoniae, V. cholerae, V. parahaemolyticus, Y. pestis).

Structure

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

HMDB0001530
     RDKit          3D
Mannitol 1-phosphate
 31 30  0  0  0  0  0  0  0  0999 V2000
    4.9249    0.1250    0.6342 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8451    0.4316   -0.3815 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.2255   -0.2549   -1.8784 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417    2.0941   -0.5777 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3956   -0.2419    0.1422 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7976    0.5838    1.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4887   -0.0831    1.5326 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1258    0.7213    2.4862 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4176   -0.1400    0.3111 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1833   -0.9423   -0.6547 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7356   -0.6812    0.7536 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5817   -1.9535    1.3014 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7365   -0.7969   -0.3710 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2527   -1.6890   -1.3252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9801    0.5265   -1.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4710    1.4636   -0.1298 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1920   -0.2873   -2.0547 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1385    2.3661   -1.3773 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5719    1.5537    0.6169 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4452    0.7440    1.9749 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6933   -1.0757    1.9548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5731    1.4771    2.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5276    0.9090   -0.0343 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6297   -1.7211   -0.2544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1283   -0.0355    1.5643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8994   -2.4877    0.8639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6936   -1.1701    0.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8459   -2.4852   -1.4118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1053    0.8918   -1.6049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7747    0.3389   -1.8214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3244    1.8187   -0.4369 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
  7  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
  3 17  1  0
  4 18  1  0
  6 19  1  0
  6 20  1  0
  7 21  1  1
  8 22  1  0
  9 23  1  6
 10 24  1  0
 11 25  1  1
 12 26  1  0
 13 27  1  1
 14 28  1  0
 15 29  1  0
 15 30  1  0
 16 31  1  0
M  END

  Mrv1652309042000242D          

 16 15  0  0  0  0            999 V2000
 9997.5893 9997.7261    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9996.8747 9998.1382    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9998.3033 9998.1382    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9997.5893 9996.9009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.1600 9997.7261    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9996.8747 9998.9628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.0188 9997.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.3033 9998.9628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9995.4453 9998.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.1600 9996.9009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.7341 9998.1382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9994.7307 9997.7261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.4475 9997.7261    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10000.0373 9997.0116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.1630 9998.1382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.8619 9997.0116    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  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  5  9  1  0  0  0  0
  5 10  1  6  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0001530

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6-/m1/s1

> <INCHI_KEY>
GACTWZZMVMUKNG-KVTDHHQDSA-N

> <FORMULA>
C6H15O9P

> <MOLECULAR_WEIGHT>
262.1517

> <EXACT_MASS>
262.04536859

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
31

> <JCHEM_AVERAGE_POLARIZABILITY>
21.534527231330248

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]oxy}phosphonic acid

> <ALOGPS_LOGP>
-2.32

> <JCHEM_LOGP>
-3.8535848799999997

> <ALOGPS_LOGS>
-0.99

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.51775442851501

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.4919441062189174

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9742116175053397

> <JCHEM_POLAR_SURFACE_AREA>
167.91

> <JCHEM_REFRACTIVITY>
49.27649999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.66e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
mannitol-1-phosphate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001530
     RDKit          3D
Mannitol 1-phosphate
 31 30  0  0  0  0  0  0  0  0999 V2000
    4.9249    0.1250    0.6342 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8451    0.4316   -0.3815 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.2255   -0.2549   -1.8784 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417    2.0941   -0.5777 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3956   -0.2419    0.1422 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7976    0.5838    1.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4887   -0.0831    1.5326 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1258    0.7213    2.4862 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4176   -0.1400    0.3111 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1833   -0.9423   -0.6547 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7356   -0.6812    0.7536 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5817   -1.9535    1.3014 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7365   -0.7969   -0.3710 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2527   -1.6890   -1.3252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9801    0.5265   -1.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4710    1.4636   -0.1298 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1920   -0.2873   -2.0547 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1385    2.3661   -1.3773 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5719    1.5537    0.6169 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4452    0.7440    1.9749 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6933   -1.0757    1.9548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5731    1.4771    2.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5276    0.9090   -0.0343 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6297   -1.7211   -0.2544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1283   -0.0355    1.5643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8994   -2.4877    0.8639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6936   -1.1701    0.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8459   -2.4852   -1.4118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1053    0.8918   -1.6049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7747    0.3389   -1.8214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3244    1.8187   -0.4369 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
  7  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
  3 17  1  0
  4 18  1  0
  6 19  1  0
  6 20  1  0
  7 21  1  1
  8 22  1  0
  9 23  1  6
 10 24  1  0
 11 25  1  1
 12 26  1  0
 13 27  1  1
 14 28  1  0
 15 29  1  0
 15 30  1  0
 16 31  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  C   UNK     0    8662.1678662.422   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8660.8338663.191   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8663.4998663.191   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0    8662.1678660.882   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0    8659.4998662.422   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0    8660.8338664.731   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0    8664.8358662.422   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0    8663.4998664.731   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0    8658.1658663.191   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0    8659.4998660.882   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0    8666.1708663.191   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0    8656.8318662.422   0.000  0.00  0.00           O+0
HETATM   13  P   UNK     0    8667.5028662.422   0.000  0.00  0.00           P+0
HETATM   14  O   UNK     0    8666.7368661.088   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0    8668.8388663.191   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0    8668.2768661.088   0.000  0.00  0.00           O+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5    6                                                  
CONECT    3    1    7    8                                                  
CONECT    4    1                                                            
CONECT    5    2    9   10                                                  
CONECT    6    2                                                            
CONECT    7    3   11                                                       
CONECT    8    3                                                            
CONECT    9    5   12                                                       
CONECT   10    5                                                            
CONECT   11    7   13                                                       
CONECT   12    9                                                            
CONECT   13   11   14   15   16                                             
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16   13                                                            
MASTER        0    0    0    0    0    0    0    0   16    0   30    0
END

COMPND    HMDB0001530
HETATM    1  O1  UNL     1       4.925   0.125   0.634  1.00  0.00           O  
HETATM    2  P1  UNL     1       3.845   0.432  -0.382  1.00  0.00           P  
HETATM    3  O2  UNL     1       4.226  -0.255  -1.878  1.00  0.00           O  
HETATM    4  O3  UNL     1       3.642   2.094  -0.578  1.00  0.00           O  
HETATM    5  O4  UNL     1       2.396  -0.242   0.142  1.00  0.00           O  
HETATM    6  C1  UNL     1       1.798   0.584   1.099  1.00  0.00           C  
HETATM    7  C2  UNL     1       0.489  -0.083   1.533  1.00  0.00           C  
HETATM    8  O5  UNL     1      -0.126   0.721   2.486  1.00  0.00           O  
HETATM    9  C3  UNL     1      -0.418  -0.140   0.311  1.00  0.00           C  
HETATM   10  O6  UNL     1       0.183  -0.942  -0.655  1.00  0.00           O  
HETATM   11  C4  UNL     1      -1.736  -0.681   0.754  1.00  0.00           C  
HETATM   12  O7  UNL     1      -1.582  -1.953   1.301  1.00  0.00           O  
HETATM   13  C5  UNL     1      -2.736  -0.797  -0.371  1.00  0.00           C  
HETATM   14  O8  UNL     1      -2.253  -1.689  -1.325  1.00  0.00           O  
HETATM   15  C6  UNL     1      -2.980   0.527  -1.056  1.00  0.00           C  
HETATM   16  O9  UNL     1      -3.471   1.464  -0.130  1.00  0.00           O  
HETATM   17  H1  UNL     1       5.192  -0.287  -2.055  1.00  0.00           H  
HETATM   18  H2  UNL     1       4.139   2.366  -1.377  1.00  0.00           H  
HETATM   19  H3  UNL     1       1.572   1.554   0.617  1.00  0.00           H  
HETATM   20  H4  UNL     1       2.445   0.744   1.975  1.00  0.00           H  
HETATM   21  H5  UNL     1       0.693  -1.076   1.955  1.00  0.00           H  
HETATM   22  H6  UNL     1      -0.573   1.477   2.060  1.00  0.00           H  
HETATM   23  H7  UNL     1      -0.528   0.909  -0.034  1.00  0.00           H  
HETATM   24  H8  UNL     1       0.630  -1.721  -0.254  1.00  0.00           H  
HETATM   25  H9  UNL     1      -2.128  -0.035   1.564  1.00  0.00           H  
HETATM   26  H10 UNL     1      -0.899  -2.488   0.864  1.00  0.00           H  
HETATM   27  H11 UNL     1      -3.694  -1.170   0.005  1.00  0.00           H  
HETATM   28  H12 UNL     1      -2.846  -2.485  -1.412  1.00  0.00           H  
HETATM   29  H13 UNL     1      -2.105   0.892  -1.605  1.00  0.00           H  
HETATM   30  H14 UNL     1      -3.775   0.339  -1.821  1.00  0.00           H  
HETATM   31  H15 UNL     1      -4.324   1.819  -0.437  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    9   21
CONECT    8   22
CONECT    9   10   11   23
CONECT   10   24
CONECT   11   12   13   25
CONECT   12   26
CONECT   13   14   15   27
CONECT   14   28
CONECT   15   16   29   30
CONECT   16   31
END

HMDB0001530
     RDKit          3D
Mannitol 1-phosphate
 31 30  0  0  0  0  0  0  0  0999 V2000
    4.9249    0.1250    0.6342 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8451    0.4316   -0.3815 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.2255   -0.2549   -1.8784 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417    2.0941   -0.5777 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3956   -0.2419    0.1422 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7976    0.5838    1.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4887   -0.0831    1.5326 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1258    0.7213    2.4862 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4176   -0.1400    0.3111 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1833   -0.9423   -0.6547 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7356   -0.6812    0.7536 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5817   -1.9535    1.3014 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7365   -0.7969   -0.3710 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2527   -1.6890   -1.3252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9801    0.5265   -1.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4710    1.4636   -0.1298 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1920   -0.2873   -2.0547 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1385    2.3661   -1.3773 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5719    1.5537    0.6169 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4452    0.7440    1.9749 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6933   -1.0757    1.9548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5731    1.4771    2.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5276    0.9090   -0.0343 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6297   -1.7211   -0.2544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1283   -0.0355    1.5643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8994   -2.4877    0.8639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6936   -1.1701    0.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8459   -2.4852   -1.4118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1053    0.8918   -1.6049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7747    0.3389   -1.8214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3244    1.8187   -0.4369 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
  7  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
  3 17  1  0
  4 18  1  0
  6 19  1  0
  6 20  1  0
  7 21  1  1
  8 22  1  0
  9 23  1  6
 10 24  1  0
 11 25  1  1
 12 26  1  0
 13 27  1  1
 14 28  1  0
 15 29  1  0
 15 30  1  0
 16 31  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Mannitol 1-phosphoric acid	Generator
D-Mannitol-1-phosphate	HMDB
Mannitol-1-P	HMDB
Mannitol-1-phosphate	HMDB, MeSH
D-Mannitol 1-phosphate	HMDB
D-Mannitol 6-phosphate	HMDB
Mannitol 1-phosphate	HMDB

Chemical Formula

C₆H₁₅O₉P

Average Molecular Weight

262.1517

Monoisotopic Molecular Weight

262.04536859

IUPAC Name

{[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]oxy}phosphonic acid

Traditional Name

mannitol-1-phosphate

CAS Registry Number

15806-48-1

SMILES

OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O

InChI Identifier

InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6-/m1/s1

InChI Key

GACTWZZMVMUKNG-KVTDHHQDSA-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

Monosaccharide phosphate
Monoalkyl phosphate
Alkyl phosphate
Phosphoric acid ester
Organic phosphoric acid derivative
Secondary alcohol
Polyol
Organic oxide
Hydrocarbon derivative
Primary alcohol
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

alditol 1-phosphate (CHEBI:16298 )
hexitol phosphate (CHEBI:16298 )

Ontology

Not Available

Ingestion (HMDB: HMDB0001530)

Source

Endogenous

Endogenous (HMDB: HMDB0001530)

Plant

Animal

Animal (HMDB: HMDB0001530)

Microbe

Microbe (HMDB: HMDB0001530)
Escherichia coli (HMDB: HMDB0001530)

Exogenous

Food

Food (HMDB: HMDB0001530)

Animal origin

Poultry

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Herb and spice mixture

Curry powder (FooDB: FOOD00678)

Herbs and Spices (FooDB: FOOD00866)

Vegetable

Cabbage

Onion-family vegetable

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

Root vegetable

Shoot vegetable

Leaf vegetable

Common beet (FooDB: FOOD00025)
Endive (FooDB: FOOD00048)
Rocket salad (ssp.) (FooDB: FOOD00077)
Swamp cabbage (FooDB: FOOD00091)
Lettuce (FooDB: FOOD00095)
Garden cress (FooDB: FOOD00099)
Spinach (FooDB: FOOD00178)
Swiss chard (FooDB: FOOD00237)
Chicory leaves (FooDB: FOOD00250)
Garland chrysanthemum (FooDB: FOOD00333)
Corn salad (FooDB: FOOD00340)
Jute (FooDB: FOOD00389)
Lambsquarters (FooDB: FOOD00394)
Malabar spinach (FooDB: FOOD00404)
New Zealand spinach (FooDB: FOOD00415)
Yautia (FooDB: FOOD00510)
Ostrich fern (FooDB: FOOD00556)
Romaine lettuce (FooDB: FOOD00888)
Iceberg lettuce (FooDB: FOOD00973)
Pea shoots (FooDB: FOOD00975)
Yau choy (FooDB: FOOD00976)
Water spinach (FooDB: FOOD00977)
Rocket salad (FooDB: FOOD00244)
Green vegetables (FooDB: FOOD00872)

Fruit vegetable

Pepper (FooDB: FOOD00040)
Olive (FooDB: FOOD00121)
Avocado (FooDB: FOOD00130)
Garden tomato (FooDB: FOOD00171)
Cherry tomato (FooDB: FOOD00172)
Garden tomato (var.) (FooDB: FOOD00173)
Eggplant (FooDB: FOOD00174)
Pepper (C. baccatum) (FooDB: FOOD00231)
Pepper (C. chinense) (FooDB: FOOD00232)
Pepper (Capsicum) (FooDB: FOOD00233)
Groundcherry (FooDB: FOOD00371)
Pepper (C. frutescens) (FooDB: FOOD00428)
Mexican groundcherry (FooDB: FOOD00491)
Pepper (C. pubescens) (FooDB: FOOD00849)
Green bell pepper (FooDB: FOOD00877)
Yellow bell pepper (FooDB: FOOD00878)
Orange bell pepper (FooDB: FOOD00879)
Red bell pepper (FooDB: FOOD00880)
Italian sweet red pepper (FooDB: FOOD00881)
Jalapeno pepper (FooDB: FOOD00955)
Cubanelle pepper (FooDB: FOOD00971)

Tuber

Stalk vegetable

Other vegetable

Giant butterbur (FooDB: FOOD00314)
Carob (FooDB: FOOD00321)
Chinese water chestnut (FooDB: FOOD00332)
Horseradish tree (FooDB: FOOD00379)
Sacred lotus (FooDB: FOOD00402)
Nopal (FooDB: FOOD00416)
Okra (FooDB: FOOD00420)
Sesbania flower (FooDB: FOOD00469)
Agave (FooDB: FOOD00563)
Narrowleaf cattail (FooDB: FOOD00564)
Heart of palm (FooDB: FOOD00718)
Tree fern (FooDB: FOOD00797)

Mushroom

Castanospermum australe (FooDB: FOOD00893)
Gentiana lutea (FooDB: FOOD00894)
Juniperus communis (FooDB: FOOD00895)
Albizia gummifera (FooDB: FOOD00896)

Brassica

Brassicas (FooDB: FOOD00857)

Fruit

Tropical fruit

Citrus

Lime (FooDB: FOOD00053)
Lemon (FooDB: FOOD00054)
Pummelo (FooDB: FOOD00055)
Mandarin orange (Clementine, Tangerine) (FooDB: FOOD00056)
Sweet orange (FooDB: FOOD00057)
Grapefruit/Pummelo hybrid (FooDB: FOOD00255)
Grapefruit (FooDB: FOOD00256)
Persian lime (FooDB: FOOD00543)
Sour orange (FooDB: FOOD00918)
Mikan (FooDB: FOOD00932)
Clementine (FooDB: FOOD00959)
Citrus (FooDB: FOOD00859)

Pome

Berry

Black crowberry (FooDB: FOOD00075)
Strawberry (FooDB: FOOD00083)
Black huckleberry (FooDB: FOOD00084)
Sea-buckthornberry (FooDB: FOOD00087)
Mulberry (FooDB: FOOD00116)
Black mulberry (FooDB: FOOD00117)
Black chokeberry (FooDB: FOOD00136)
Blackcurrant (FooDB: FOOD00155)
Redcurrant (FooDB: FOOD00156)
Gooseberry (FooDB: FOOD00157)
Cloudberry (FooDB: FOOD00161)
Red raspberry (FooDB: FOOD00162)
Black raspberry (FooDB: FOOD00163)
Black elderberry (FooDB: FOOD00166)
Rowanberry (FooDB: FOOD00176)
Vaccinium (Blueberry, Cranberry, Huckleberry) (FooDB: FOOD00188)
Lowbush blueberry (FooDB: FOOD00189)
Sparkleberry (FooDB: FOOD00190)
Highbush blueberry (FooDB: FOOD00191)
American cranberry (FooDB: FOOD00192)
Bilberry (FooDB: FOOD00193)
Lingonberry (FooDB: FOOD00194)
Muscadine grape (FooDB: FOOD00203)
Common grape (FooDB: FOOD00204)
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)
Elderberry (FooDB: FOOD00358)
Grape (FooDB: FOOD00369)
Alaska blueberry (FooDB: FOOD00380)
Loganberry (FooDB: FOOD00400)
Ohelo berry (FooDB: FOOD00419)
Salmonberry (FooDB: FOOD00456)
Strawberry guava (FooDB: FOOD00482)
Boysenberry (FooDB: FOOD00542)
Chinese bayberry (FooDB: FOOD00852)
Saskatoon berry (FooDB: FOOD00884)
Nanking cherry (FooDB: FOOD00885)
Rabbiteye blueberry (FooDB: FOOD00898)
Blackberry (FooDB: FOOD00906)
Partridge berry (FooDB: FOOD00931)
Green grape (FooDB: FOOD00964)
Red grape (FooDB: FOOD00965)
Black plum (FooDB: FOOD00966)
Black raisin (FooDB: FOOD00968)
Chinese plum (FooDB: FOOD00978)
Green plum (FooDB: FOOD00979)
Wampee (FooDB: FOOD00980)
Goji (FooDB: FOOD00982)
Monk fruit (FooDB: FOOD00983)
Hawthorn (FooDB: FOOD00985)
Lantern fruit (FooDB: FOOD00986)
Cape gooseberry (FooDB: FOOD00988)
Rubus (Blackberry, Raspberry) (FooDB: FOOD00160)

Other fruit

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

Drupe

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

Fruits (FooDB: FOOD00871)

Nut

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

Cereal and cereal product

Cereal

Cereal product

Dough

Sourdough (FooDB: FOOD00275)

Leavened bread

Flat bread

Other bread

Potato bread (FooDB: FOOD00811)
Other bread (FooDB: FOOD00269)

Sweet bread

Raisin bread (FooDB: FOOD00817)

Cereals and cereal products (FooDB: FOOD00858)

Pulse

Pea

Lentil

Lentils (FooDB: FOOD00098)

Other pulse

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

Bean

Green lentil (FooDB: FOOD00970)
Pulses (FooDB: FOOD00867)

Gourd

Watermelon (FooDB: FOOD00052)
Muskmelon (FooDB: FOOD00064)
Cucumber (FooDB: FOOD00065)
Cucurbita (FooDB: FOOD00066)
Bitter gourd (FooDB: FOOD00115)
Winter squash (FooDB: FOOD00283)
Butternut squash (FooDB: FOOD00317)
Calabash (FooDB: FOOD00318)
Chayote (FooDB: FOOD00325)
Towel gourd (FooDB: FOOD00492)
Wax gourd (FooDB: FOOD00499)
Tinda (FooDB: FOOD00559)
Horned melon (FooDB: FOOD00761)
Sunburst squash (pattypan squash) (FooDB: FOOD00874)
Green zucchini (FooDB: FOOD00875)
Yellow zucchini (FooDB: FOOD00876)
Japanese pumpkin (FooDB: FOOD00886)
Acorn squash (FooDB: FOOD00972)
Cantaloupe melon (FooDB: FOOD00984)

Coffee and coffee product

Coffee

Arabica coffee (FooDB: FOOD00059)
Robusta coffee (FooDB: FOOD00060)

Soy

Soy bean (FooDB: FOOD00085)

Soy product

Dish

Other dish

Taco shell (FooDB: FOOD00991)
Tostada shell (FooDB: FOOD00992)

Tea

Herbal tea

Hibiscus tea (FooDB: FOOD00723)
Greenthread tea (FooDB: FOOD00820)

Baking good

Wrapper

Wonton wrapper (FooDB: FOOD00818)

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

Cocoa and cocoa product

Cocoa

Cocoa bean (FooDB: FOOD00182)

Exogenous (HMDB: HMDB0001530)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Glycolysis and Pyruvate Dehydrogenase (PathBank: SMP0000807)

Role

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

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	26.6 g/L	ALOGPS
logP	-2.3	ALOGPS
logP	-3.9	ChemAxon
logS	-0.99	ALOGPS
pKa (Strongest Acidic)	1.49	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	167.91 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	49.28 m³·mol⁻¹	ChemAxon
Polarizability	21.53 Å³	ChemAxon
Number of Rings	0	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
DarkChem	[M+H]+	159.784	31661259
DarkChem	[M-H]-	153.14	31661259
AllCCS	[M+H]+	156.231	32859911
AllCCS	[M-H]-	148.537	32859911
DeepCCS	[M+H]+	151.385	30932474
DeepCCS	[M-H]-	148.989	30932474
DeepCCS	[M-2H]-	182.066	30932474
DeepCCS	[M+Na]+	157.297	30932474
AllCCS	[M+H]+	156.2	32859911
AllCCS	[M+H-H2O]+	153.0	32859911
AllCCS	[M+NH4]+	159.3	32859911
AllCCS	[M+Na]+	160.1	32859911
AllCCS	[M-H]-	148.5	32859911
AllCCS	[M+Na-2H]-	149.2	32859911
AllCCS	[M+HCOO]-	150.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Mannitol 1-phosphate	OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O	3301.1	Standard polar	33892256
Mannitol 1-phosphate	OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O	2152.0	Standard non polar	33892256
Mannitol 1-phosphate	OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O	2341.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Mannitol 1-phosphate,1TMS,isomer #1	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O	2248.4	Semi standard non polar	33892256
Mannitol 1-phosphate,1TMS,isomer #2	C[Si](C)(C)O[C@H](CO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O	2256.0	Semi standard non polar	33892256
Mannitol 1-phosphate,1TMS,isomer #3	C[Si](C)(C)O[C@H]([C@H](O)CO)[C@H](O)[C@H](O)COP(=O)(O)O	2218.3	Semi standard non polar	33892256
Mannitol 1-phosphate,1TMS,isomer #4	C[Si](C)(C)O[C@H]([C@H](O)COP(=O)(O)O)[C@H](O)[C@H](O)CO	2208.2	Semi standard non polar	33892256
Mannitol 1-phosphate,1TMS,isomer #5	C[Si](C)(C)O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H](O)CO	2241.3	Semi standard non polar	33892256
Mannitol 1-phosphate,1TMS,isomer #6	C[Si](C)(C)OP(=O)(O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	2305.4	Semi standard non polar	33892256
Mannitol 1-phosphate,2TMS,isomer #1	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O	2246.1	Semi standard non polar	33892256
Mannitol 1-phosphate,2TMS,isomer #10	C[Si](C)(C)O[C@H]([C@H](O)CO)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	2204.8	Semi standard non polar	33892256
Mannitol 1-phosphate,2TMS,isomer #11	C[Si](C)(C)O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO	2227.8	Semi standard non polar	33892256
Mannitol 1-phosphate,2TMS,isomer #12	C[Si](C)(C)O[C@H]([C@H](O)CO)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	2268.9	Semi standard non polar	33892256
Mannitol 1-phosphate,2TMS,isomer #13	C[Si](C)(C)O[C@H]([C@@H](COP(=O)(O)O)O[Si](C)(C)C)[C@H](O)[C@H](O)CO	2226.2	Semi standard non polar	33892256
Mannitol 1-phosphate,2TMS,isomer #14	C[Si](C)(C)O[C@H]([C@H](O)COP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H](O)CO	2266.4	Semi standard non polar	33892256
Mannitol 1-phosphate,2TMS,isomer #15	C[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H](O)CO	2295.0	Semi standard non polar	33892256
Mannitol 1-phosphate,2TMS,isomer #16	C[Si](C)(C)OP(=O)(OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)O[Si](C)(C)C	2318.8	Semi standard non polar	33892256
Mannitol 1-phosphate,2TMS,isomer #2	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O	2221.7	Semi standard non polar	33892256
Mannitol 1-phosphate,2TMS,isomer #3	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	2222.3	Semi standard non polar	33892256
Mannitol 1-phosphate,2TMS,isomer #4	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	2240.6	Semi standard non polar	33892256
Mannitol 1-phosphate,2TMS,isomer #5	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	2297.6	Semi standard non polar	33892256
Mannitol 1-phosphate,2TMS,isomer #6	C[Si](C)(C)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O	2235.3	Semi standard non polar	33892256
Mannitol 1-phosphate,2TMS,isomer #7	C[Si](C)(C)O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	2234.4	Semi standard non polar	33892256
Mannitol 1-phosphate,2TMS,isomer #8	C[Si](C)(C)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	2251.4	Semi standard non polar	33892256
Mannitol 1-phosphate,2TMS,isomer #9	C[Si](C)(C)O[C@H](CO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	2303.9	Semi standard non polar	33892256
Mannitol 1-phosphate,3TMS,isomer #1	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O	2215.3	Semi standard non polar	33892256
Mannitol 1-phosphate,3TMS,isomer #10	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2283.6	Semi standard non polar	33892256
Mannitol 1-phosphate,3TMS,isomer #11	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2279.1	Semi standard non polar	33892256
Mannitol 1-phosphate,3TMS,isomer #12	C[Si](C)(C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	2230.9	Semi standard non polar	33892256
Mannitol 1-phosphate,3TMS,isomer #13	C[Si](C)(C)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	2228.1	Semi standard non polar	33892256
Mannitol 1-phosphate,3TMS,isomer #14	C[Si](C)(C)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	2259.2	Semi standard non polar	33892256
Mannitol 1-phosphate,3TMS,isomer #15	C[Si](C)(C)O[C@H]([C@@H](COP(=O)(O)O)O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C	2233.6	Semi standard non polar	33892256
Mannitol 1-phosphate,3TMS,isomer #16	C[Si](C)(C)O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	2277.4	Semi standard non polar	33892256
Mannitol 1-phosphate,3TMS,isomer #17	C[Si](C)(C)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2282.1	Semi standard non polar	33892256
Mannitol 1-phosphate,3TMS,isomer #18	C[Si](C)(C)O[C@H](CO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2304.5	Semi standard non polar	33892256
Mannitol 1-phosphate,3TMS,isomer #19	C[Si](C)(C)O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO	2206.9	Semi standard non polar	33892256
Mannitol 1-phosphate,3TMS,isomer #2	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	2234.3	Semi standard non polar	33892256
Mannitol 1-phosphate,3TMS,isomer #20	C[Si](C)(C)O[C@H]([C@H](O)CO)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	2232.1	Semi standard non polar	33892256
Mannitol 1-phosphate,3TMS,isomer #21	C[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO	2249.8	Semi standard non polar	33892256
Mannitol 1-phosphate,3TMS,isomer #22	C[Si](C)(C)O[C@H]([C@H](O)CO)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2245.3	Semi standard non polar	33892256
Mannitol 1-phosphate,3TMS,isomer #23	C[Si](C)(C)O[C@H]([C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H](O)CO	2253.7	Semi standard non polar	33892256
Mannitol 1-phosphate,3TMS,isomer #24	C[Si](C)(C)O[C@H]([C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H](O)CO	2269.3	Semi standard non polar	33892256
Mannitol 1-phosphate,3TMS,isomer #25	C[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H](O)CO	2283.9	Semi standard non polar	33892256
Mannitol 1-phosphate,3TMS,isomer #3	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	2243.5	Semi standard non polar	33892256
Mannitol 1-phosphate,3TMS,isomer #4	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	2287.9	Semi standard non polar	33892256
Mannitol 1-phosphate,3TMS,isomer #5	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	2218.2	Semi standard non polar	33892256
Mannitol 1-phosphate,3TMS,isomer #6	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	2226.5	Semi standard non polar	33892256
Mannitol 1-phosphate,3TMS,isomer #7	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	2257.5	Semi standard non polar	33892256
Mannitol 1-phosphate,3TMS,isomer #8	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	2222.6	Semi standard non polar	33892256
Mannitol 1-phosphate,3TMS,isomer #9	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	2262.8	Semi standard non polar	33892256
Mannitol 1-phosphate,4TMS,isomer #1	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	2239.9	Semi standard non polar	33892256
Mannitol 1-phosphate,4TMS,isomer #10	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2309.3	Semi standard non polar	33892256
Mannitol 1-phosphate,4TMS,isomer #11	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2323.2	Semi standard non polar	33892256
Mannitol 1-phosphate,4TMS,isomer #12	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2292.5	Semi standard non polar	33892256
Mannitol 1-phosphate,4TMS,isomer #13	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2325.9	Semi standard non polar	33892256
Mannitol 1-phosphate,4TMS,isomer #14	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2324.1	Semi standard non polar	33892256
Mannitol 1-phosphate,4TMS,isomer #15	C[Si](C)(C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	2244.8	Semi standard non polar	33892256
Mannitol 1-phosphate,4TMS,isomer #16	C[Si](C)(C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	2308.0	Semi standard non polar	33892256
Mannitol 1-phosphate,4TMS,isomer #17	C[Si](C)(C)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2313.5	Semi standard non polar	33892256
Mannitol 1-phosphate,4TMS,isomer #18	C[Si](C)(C)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2328.5	Semi standard non polar	33892256
Mannitol 1-phosphate,4TMS,isomer #19	C[Si](C)(C)O[C@H]([C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C	2318.0	Semi standard non polar	33892256
Mannitol 1-phosphate,4TMS,isomer #2	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	2251.5	Semi standard non polar	33892256
Mannitol 1-phosphate,4TMS,isomer #20	C[Si](C)(C)O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2345.8	Semi standard non polar	33892256
Mannitol 1-phosphate,4TMS,isomer #21	C[Si](C)(C)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2347.7	Semi standard non polar	33892256
Mannitol 1-phosphate,4TMS,isomer #22	C[Si](C)(C)O[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](O)CO	2275.7	Semi standard non polar	33892256
Mannitol 1-phosphate,4TMS,isomer #23	C[Si](C)(C)O[C@H]([C@H](O)CO)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2319.4	Semi standard non polar	33892256
Mannitol 1-phosphate,4TMS,isomer #24	C[Si](C)(C)O[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](O)CO	2316.3	Semi standard non polar	33892256
Mannitol 1-phosphate,4TMS,isomer #25	C[Si](C)(C)O[C@H]([C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H](O)CO	2315.9	Semi standard non polar	33892256
Mannitol 1-phosphate,4TMS,isomer #3	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	2284.2	Semi standard non polar	33892256
Mannitol 1-phosphate,4TMS,isomer #4	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	2258.7	Semi standard non polar	33892256
Mannitol 1-phosphate,4TMS,isomer #5	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	2311.2	Semi standard non polar	33892256
Mannitol 1-phosphate,4TMS,isomer #6	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2302.7	Semi standard non polar	33892256
Mannitol 1-phosphate,4TMS,isomer #7	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2322.3	Semi standard non polar	33892256
Mannitol 1-phosphate,4TMS,isomer #8	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	2245.1	Semi standard non polar	33892256
Mannitol 1-phosphate,4TMS,isomer #9	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	2304.8	Semi standard non polar	33892256
Mannitol 1-phosphate,5TMS,isomer #1	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	2257.0	Semi standard non polar	33892256
Mannitol 1-phosphate,5TMS,isomer #10	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2351.3	Semi standard non polar	33892256
Mannitol 1-phosphate,5TMS,isomer #11	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2354.2	Semi standard non polar	33892256
Mannitol 1-phosphate,5TMS,isomer #12	C[Si](C)(C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2323.6	Semi standard non polar	33892256
Mannitol 1-phosphate,5TMS,isomer #13	C[Si](C)(C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2348.0	Semi standard non polar	33892256
Mannitol 1-phosphate,5TMS,isomer #14	C[Si](C)(C)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2358.0	Semi standard non polar	33892256
Mannitol 1-phosphate,5TMS,isomer #15	C[Si](C)(C)O[C@H]([C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C	2356.1	Semi standard non polar	33892256
Mannitol 1-phosphate,5TMS,isomer #16	C[Si](C)(C)O[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](O)CO	2344.4	Semi standard non polar	33892256
Mannitol 1-phosphate,5TMS,isomer #2	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	2317.8	Semi standard non polar	33892256
Mannitol 1-phosphate,5TMS,isomer #3	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2319.5	Semi standard non polar	33892256
Mannitol 1-phosphate,5TMS,isomer #4	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2345.9	Semi standard non polar	33892256
Mannitol 1-phosphate,5TMS,isomer #5	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2326.3	Semi standard non polar	33892256
Mannitol 1-phosphate,5TMS,isomer #6	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2348.3	Semi standard non polar	33892256
Mannitol 1-phosphate,5TMS,isomer #7	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2366.9	Semi standard non polar	33892256
Mannitol 1-phosphate,5TMS,isomer #8	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2321.3	Semi standard non polar	33892256
Mannitol 1-phosphate,5TMS,isomer #9	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2344.4	Semi standard non polar	33892256
Mannitol 1-phosphate,6TMS,isomer #1	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2351.1	Semi standard non polar	33892256
Mannitol 1-phosphate,6TMS,isomer #1	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2286.7	Standard non polar	33892256
Mannitol 1-phosphate,6TMS,isomer #1	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2650.2	Standard polar	33892256
Mannitol 1-phosphate,6TMS,isomer #2	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2351.8	Semi standard non polar	33892256
Mannitol 1-phosphate,6TMS,isomer #2	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2289.9	Standard non polar	33892256
Mannitol 1-phosphate,6TMS,isomer #2	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2523.9	Standard polar	33892256
Mannitol 1-phosphate,6TMS,isomer #3	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2352.0	Semi standard non polar	33892256
Mannitol 1-phosphate,6TMS,isomer #3	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2302.7	Standard non polar	33892256
Mannitol 1-phosphate,6TMS,isomer #3	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2538.2	Standard polar	33892256
Mannitol 1-phosphate,6TMS,isomer #4	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2354.4	Semi standard non polar	33892256
Mannitol 1-phosphate,6TMS,isomer #4	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2298.7	Standard non polar	33892256
Mannitol 1-phosphate,6TMS,isomer #4	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2534.9	Standard polar	33892256
Mannitol 1-phosphate,6TMS,isomer #5	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2350.2	Semi standard non polar	33892256
Mannitol 1-phosphate,6TMS,isomer #5	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2297.3	Standard non polar	33892256
Mannitol 1-phosphate,6TMS,isomer #5	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2516.1	Standard polar	33892256
Mannitol 1-phosphate,6TMS,isomer #6	C[Si](C)(C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2377.8	Semi standard non polar	33892256
Mannitol 1-phosphate,6TMS,isomer #6	C[Si](C)(C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2289.6	Standard non polar	33892256
Mannitol 1-phosphate,6TMS,isomer #6	C[Si](C)(C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2509.9	Standard polar	33892256
Mannitol 1-phosphate,7TMS,isomer #1	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2426.8	Semi standard non polar	33892256
Mannitol 1-phosphate,7TMS,isomer #1	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2350.1	Standard non polar	33892256
Mannitol 1-phosphate,7TMS,isomer #1	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2498.9	Standard polar	33892256
Mannitol 1-phosphate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O	2493.2	Semi standard non polar	33892256
Mannitol 1-phosphate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H](CO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O	2493.2	Semi standard non polar	33892256
Mannitol 1-phosphate,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]([C@H](O)CO)[C@H](O)[C@H](O)COP(=O)(O)O	2464.8	Semi standard non polar	33892256
Mannitol 1-phosphate,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]([C@H](O)COP(=O)(O)O)[C@H](O)[C@H](O)CO	2463.1	Semi standard non polar	33892256
Mannitol 1-phosphate,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H](O)CO	2475.2	Semi standard non polar	33892256
Mannitol 1-phosphate,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	2547.8	Semi standard non polar	33892256
Mannitol 1-phosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O	2630.0	Semi standard non polar	33892256
Mannitol 1-phosphate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]([C@H](O)CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O	2630.0	Semi standard non polar	33892256
Mannitol 1-phosphate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	2637.2	Semi standard non polar	33892256
Mannitol 1-phosphate,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@H]([C@H](O)CO)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	2699.9	Semi standard non polar	33892256
Mannitol 1-phosphate,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@H]([C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO	2636.8	Semi standard non polar	33892256
Mannitol 1-phosphate,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@H]([C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO	2701.7	Semi standard non polar	33892256
Mannitol 1-phosphate,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H](O)CO	2699.5	Semi standard non polar	33892256
Mannitol 1-phosphate,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)O[Si](C)(C)C(C)(C)C	2759.6	Semi standard non polar	33892256
Mannitol 1-phosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O	2624.6	Semi standard non polar	33892256
Mannitol 1-phosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O	2641.2	Semi standard non polar	33892256
Mannitol 1-phosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	2640.2	Semi standard non polar	33892256
Mannitol 1-phosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	2719.4	Semi standard non polar	33892256
Mannitol 1-phosphate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]([C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O	2640.8	Semi standard non polar	33892256
Mannitol 1-phosphate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O	2664.5	Semi standard non polar	33892256
Mannitol 1-phosphate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	2657.1	Semi standard non polar	33892256
Mannitol 1-phosphate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H](CO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	2745.0	Semi standard non polar	33892256
Mannitol 1-phosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O	2841.9	Semi standard non polar	33892256
Mannitol 1-phosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2907.6	Semi standard non polar	33892256
Mannitol 1-phosphate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2928.2	Semi standard non polar	33892256
Mannitol 1-phosphate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O	2882.3	Semi standard non polar	33892256
Mannitol 1-phosphate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@H]([C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	2877.0	Semi standard non polar	33892256
Mannitol 1-phosphate,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@H]([C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	2913.6	Semi standard non polar	33892256
Mannitol 1-phosphate,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)O[C@H]([C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	2885.1	Semi standard non polar	33892256
Mannitol 1-phosphate,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	2938.1	Semi standard non polar	33892256
Mannitol 1-phosphate,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2930.6	Semi standard non polar	33892256
Mannitol 1-phosphate,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)O[C@H](CO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2966.1	Semi standard non polar	33892256
Mannitol 1-phosphate,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)O[C@H](COP(=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](O)CO	2853.7	Semi standard non polar	33892256
Mannitol 1-phosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O	2872.0	Semi standard non polar	33892256
Mannitol 1-phosphate,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@H]([C@H](O)CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	2885.2	Semi standard non polar	33892256
Mannitol 1-phosphate,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)O[C@H](COP(=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](O)CO	2890.1	Semi standard non polar	33892256
Mannitol 1-phosphate,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)O[C@H]([C@H](O)CO)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2906.0	Semi standard non polar	33892256
Mannitol 1-phosphate,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)O[C@H]([C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO	2887.2	Semi standard non polar	33892256
Mannitol 1-phosphate,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)O[C@H]([C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO	2932.1	Semi standard non polar	33892256
Mannitol 1-phosphate,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)O[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)[C@H](O)CO	2917.6	Semi standard non polar	33892256
Mannitol 1-phosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	2859.8	Semi standard non polar	33892256
Mannitol 1-phosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	2910.3	Semi standard non polar	33892256
Mannitol 1-phosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O	2869.1	Semi standard non polar	33892256
Mannitol 1-phosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	2866.7	Semi standard non polar	33892256
Mannitol 1-phosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	2904.2	Semi standard non polar	33892256
Mannitol 1-phosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	2861.0	Semi standard non polar	33892256
Mannitol 1-phosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	2922.4	Semi standard non polar	33892256
Mannitol 1-phosphate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@@H](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](O)COP(=O)(O)O	3116.6	Semi standard non polar	33892256
Mannitol 1-phosphate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3148.0	Semi standard non polar	33892256
Mannitol 1-phosphate,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3132.7	Semi standard non polar	33892256
Mannitol 1-phosphate,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3127.0	Semi standard non polar	33892256
Mannitol 1-phosphate,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3142.1	Semi standard non polar	33892256
Mannitol 1-phosphate,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3126.3	Semi standard non polar	33892256
Mannitol 1-phosphate,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3123.8	Semi standard non polar	33892256
Mannitol 1-phosphate,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	3148.8	Semi standard non polar	33892256
Mannitol 1-phosphate,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)O[C@H]([C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3150.6	Semi standard non polar	33892256
Mannitol 1-phosphate,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)O[C@H]([C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3149.2	Semi standard non polar	33892256
Mannitol 1-phosphate,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)O[C@H]([C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3156.7	Semi standard non polar	33892256
Mannitol 1-phosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3111.4	Semi standard non polar	33892256
Mannitol 1-phosphate,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3166.2	Semi standard non polar	33892256
Mannitol 1-phosphate,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3153.0	Semi standard non polar	33892256
Mannitol 1-phosphate,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)O[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](O)CO	3112.2	Semi standard non polar	33892256
Mannitol 1-phosphate,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)O[C@H]([C@H](O)CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3122.5	Semi standard non polar	33892256
Mannitol 1-phosphate,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)O[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](O)CO	3126.3	Semi standard non polar	33892256
Mannitol 1-phosphate,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)O[C@H]([C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO	3121.6	Semi standard non polar	33892256
Mannitol 1-phosphate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	3120.8	Semi standard non polar	33892256
Mannitol 1-phosphate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3117.1	Semi standard non polar	33892256
Mannitol 1-phosphate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	3150.2	Semi standard non polar	33892256
Mannitol 1-phosphate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3128.6	Semi standard non polar	33892256
Mannitol 1-phosphate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3127.2	Semi standard non polar	33892256
Mannitol 1-phosphate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3117.1	Semi standard non polar	33892256
Mannitol 1-phosphate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	3144.8	Semi standard non polar	33892256
Mannitol 1-phosphate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@@H](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](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3356.8	Semi standard non polar	33892256
Mannitol 1-phosphate,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3372.2	Semi standard non polar	33892256
Mannitol 1-phosphate,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3358.2	Semi standard non polar	33892256
Mannitol 1-phosphate,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3371.2	Semi standard non polar	33892256
Mannitol 1-phosphate,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3375.6	Semi standard non polar	33892256
Mannitol 1-phosphate,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@H]([C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3375.2	Semi standard non polar	33892256
Mannitol 1-phosphate,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)O[C@H]([C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3380.7	Semi standard non polar	33892256
Mannitol 1-phosphate,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)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](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	3359.9	Semi standard non polar	33892256
Mannitol 1-phosphate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@@H](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](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	3367.4	Semi standard non polar	33892256
Mannitol 1-phosphate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3365.6	Semi standard non polar	33892256
Mannitol 1-phosphate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3351.8	Semi standard non polar	33892256
Mannitol 1-phosphate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3369.1	Semi standard non polar	33892256
Mannitol 1-phosphate,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3372.5	Semi standard non polar	33892256
Mannitol 1-phosphate,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3359.3	Semi standard non polar	33892256
Mannitol 1-phosphate,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3365.5	Semi standard non polar	33892256
Mannitol 1-phosphate,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3364.0	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Mannitol 1-phosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-006y-9540000000-86cf8d59afcce7584a3f	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Mannitol 1-phosphate GC-MS (5 TMS) - 70eV, Positive	splash10-0a4r-4923567000-26272b4c862b92140c1d	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Mannitol 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 - Mannitol 1-phosphate LC-ESI-QQ , positive-QTOF	splash10-0w34-1490000000-d2e962eeeb8b5314f806	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mannitol 1-phosphate LC-ESI-QQ , positive-QTOF	splash10-001i-9670000000-03053fb004aa1c4e49ec	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mannitol 1-phosphate LC-ESI-QQ , positive-QTOF	splash10-01q9-9300000000-4ba001d15034930de63b	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mannitol 1-phosphate LC-ESI-QQ , positive-QTOF	splash10-08i0-9300000000-9c3caddbe76982beb86c	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mannitol 1-phosphate LC-ESI-QQ , positive-QTOF	splash10-0159-6900000000-eb42bdad711c5a7235ec	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mannitol 1-phosphate Orbitrap 6V, negative-QTOF	splash10-03di-0090000000-ae29abfa6b43be45ec2d	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mannitol 1-phosphate Orbitrap 7V, negative-QTOF	splash10-03di-3090000000-4cd26f2bbad6c4388684	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mannitol 1-phosphate Orbitrap 9V, negative-QTOF	splash10-01r2-9050000000-ea7e8f0586758c6aba0d	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mannitol 1-phosphate Orbitrap 12V, negative-QTOF	splash10-002b-9010000000-93fe5d73664c635a907e	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mannitol 1-phosphate Orbitrap 14V, negative-QTOF	splash10-002b-9000000000-e377d371c29e68aebaaa	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mannitol 1-phosphate Orbitrap 17V, negative-QTOF	splash10-004j-9000000000-574c45306f876b8fb577	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mannitol 1-phosphate Orbitrap 21V, negative-QTOF	splash10-004i-9000000000-c903273e5dc08f87bedf	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mannitol 1-phosphate n/a 18V, negative-QTOF	splash10-002b-9000000000-f8d2372dae0d91dd5c9b	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mannitol 1-phosphate Orbitrap 6V, negative-QTOF	splash10-00di-0020090000-17eaa3895d63654aadfb	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mannitol 1-phosphate Orbitrap 7V, negative-QTOF	splash10-03r0-0090090000-daad02df2a8857e3b044	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mannitol 1-phosphate Orbitrap 9V, negative-QTOF	splash10-03di-0090020000-51fd69100fe5fcfd7caa	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mannitol 1-phosphate Orbitrap 10V, negative-QTOF	splash10-03di-0090000000-2b445bd7c879872a7e72	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mannitol 1-phosphate Orbitrap 12V, negative-QTOF	splash10-03di-0090000000-7d28445e31e474a97c45	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mannitol 1-phosphate Orbitrap 13V, negative-QTOF	splash10-03di-0090000000-3fa243df5a46b4b1106d	2020-07-22	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Mannitol 1-phosphate 10V, Positive-QTOF	splash10-03dj-3690000000-bcc5097fd962872341bd	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Mannitol 1-phosphate 20V, Positive-QTOF	splash10-03kc-9610000000-ac374a4fe18a51efbab7	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Mannitol 1-phosphate 40V, Positive-QTOF	splash10-03kd-9200000000-651b0e98592a21df2d7e	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Mannitol 1-phosphate 10V, Negative-QTOF	splash10-084v-9820000000-12be868166849360c049	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Mannitol 1-phosphate 20V, Negative-QTOF	splash10-004i-9200000000-7c23a52e0da63d89cc95	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Mannitol 1-phosphate 40V, Negative-QTOF	splash10-004i-9000000000-0fa94fd955a1b1afa23a	2015-09-15	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

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

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

130418

PDB ID

Not Available

ChEBI ID

16298

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 Mannitol 1-phosphate (HMDB0001530)

MOL for HMDB0001530 (Mannitol 1-phosphate)

3D MOL for HMDB0001530 (Mannitol 1-phosphate)

3D SDF for HMDB0001530 (Mannitol 1-phosphate)

3D-SDF for HMDB0001530 (Mannitol 1-phosphate)

PDB for HMDB0001530 (Mannitol 1-phosphate)

3D PDB for HMDB0001530 (Mannitol 1-phosphate)

SMILES for HMDB0001530 (Mannitol 1-phosphate)

INCHI for HMDB0001530 (Mannitol 1-phosphate)

Structure for HMDB0001530 (Mannitol 1-phosphate)

3D Structure for HMDB0001530 (Mannitol 1-phosphate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra