Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (7) Show 7 proteins XML

Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2006-05-22 15:12:24 UTC

Update Date

2021-09-16 15:27:24 UTC

HMDB ID

HMDB0002985

Secondary Accession Numbers

HMDB02985

Metabolite Identification

Common Name

myo-Inositol 6-phosphate

Description

myo-Inositol 6-phosphate, also known as I6P or Ins(6)P, belongs to the class of organic compounds known as inositol phosphates. Inositol phosphates are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety. Inositol phosphate is an intermediate step in the metabolism of glucose-6-phosphate into myo-inositol. myo-Inositol is synthesized from glucose-6-phosphate (G-6-P) in two steps. First, G-6-P is isomerized by INYNA1 into myo-inositol 1-phosphate, which is then dephosphorylated by IMPA1 to give myo-inositol.

Structure

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

HMDB0002985
     RDKit          3D
myo-Inositol 6-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
    3.0691   -0.7355   -1.1790 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1493   -0.0700    0.1936 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.3928   -0.6818    1.1161 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3338    1.5972   -0.0856 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6570   -0.3054    0.9313 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5953   -0.2130    0.0131 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1450    1.0509    0.3738 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5873    2.1514   -0.0667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4449    1.0327   -0.4249 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1005    2.2554   -0.3220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2909   -0.0225    0.2519 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5083   -0.0644   -0.4503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6400   -1.3514    0.3455 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4044   -2.2449   -0.4450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2198   -1.4384   -0.0092 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1206   -2.0181   -1.2984 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2251   -0.6572    0.5721 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4140    1.8123   -1.0342 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.0005   -0.9900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3225    1.1464    1.4515 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0604    2.7814   -0.6025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1980    0.7389   -1.4433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7457    2.7662    0.4395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559    0.3981    1.2591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2816   -0.5412   -1.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8039   -1.7223    1.4001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0673   -2.1793   -1.3684 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2720   -2.2033    0.6636 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0216   -1.2828   -1.9227 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
 15  6  1  0
  3 17  1  0
  4 18  1  0
  6 19  1  6
  7 20  1  1
  8 21  1  0
  9 22  1  6
 10 23  1  0
 11 24  1  1
 12 25  1  0
 13 26  1  1
 14 27  1  0
 15 28  1  1
 16 29  1  0
M  END


  Mrv1652309162005002D          

 16 16  0  0  0  0            999 V2000
   -1.4283   -1.3863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4259    0.2617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4269   -1.3845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0012   -2.2102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7156   -0.1491    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7157   -0.9741    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0011   -1.3865    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7132   -0.9741    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7133   -0.1491    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0012    0.2635    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0011    1.0856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4273    0.2633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4268    1.0883    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2498    1.0877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7126    1.5013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8378    1.8014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6  1  1  6  0  0  0
  7  4  1  1  0  0  0
  8  3  1  6  0  0  0
  9  2  1  6  0  0  0
 10 11  1  6  0  0  0
 12 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
  5 12  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0002985

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3-,4+,5-,6-/m1/s1

> <INCHI_KEY>
INAPMGSXUVUWAF-XCMZKKERSA-N

> <FORMULA>
C6H13O9P

> <MOLECULAR_WEIGHT>
260.1358

> <EXACT_MASS>
260.029718526

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
20.53237129725031

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphonic acid

> <ALOGPS_LOGP>
-1.98

> <JCHEM_LOGP>
-3.9055756833333333

> <ALOGPS_LOGS>
-0.82

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.194111788919007

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.1625722061585555

> <JCHEM_PKA_STRONGEST_BASIC>
-3.645813019693807

> <JCHEM_POLAR_SURFACE_AREA>
167.91

> <JCHEM_REFRACTIVITY>
46.64789999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.95e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0002985
     RDKit          3D
myo-Inositol 6-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
    3.0691   -0.7355   -1.1790 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1493   -0.0700    0.1936 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.3928   -0.6818    1.1161 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3338    1.5972   -0.0856 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6570   -0.3054    0.9313 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5953   -0.2130    0.0131 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1450    1.0509    0.3738 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5873    2.1514   -0.0667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4449    1.0327   -0.4249 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1005    2.2554   -0.3220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2909   -0.0225    0.2519 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5083   -0.0644   -0.4503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6400   -1.3514    0.3455 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4044   -2.2449   -0.4450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2198   -1.4384   -0.0092 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1206   -2.0181   -1.2984 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2251   -0.6572    0.5721 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4140    1.8123   -1.0342 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.0005   -0.9900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3225    1.1464    1.4515 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0604    2.7814   -0.6025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1980    0.7389   -1.4433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7457    2.7662    0.4395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559    0.3981    1.2591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2816   -0.5412   -1.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8039   -1.7223    1.4001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0673   -2.1793   -1.3684 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2720   -2.2033    0.6636 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0216   -1.2828   -1.9227 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
 15  6  1  0
  3 17  1  0
  4 18  1  0
  6 19  1  6
  7 20  1  1
  8 21  1  0
  9 22  1  6
 10 23  1  0
 11 24  1  1
 12 25  1  0
 13 26  1  1
 14 27  1  0
 15 28  1  1
 16 29  1  0
M  END

HEADER    PROTEIN                                 16-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-SEP-20         0                                  
HETATM    1  O   UNK     0      -2.666  -2.588   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0       2.662   0.489   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0       2.664  -2.584   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      -0.002  -4.126   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -1.336  -0.278   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.336  -1.818   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.002  -2.588   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.331  -1.818   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.331  -0.278   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.002   0.492   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -0.002   2.026   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      -2.664   0.491   0.000  0.00  0.00           O+0
HETATM   13  P   UNK     0      -2.663   2.031   0.000  0.00  0.00           P+0
HETATM   14  O   UNK     0      -4.200   2.030   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      -1.330   2.802   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      -3.431   3.363   0.000  0.00  0.00           O+0
CONECT    1    6                                                            
CONECT    2    9                                                            
CONECT    3    8                                                            
CONECT    4    7                                                            
CONECT    5    6   10   12                                                  
CONECT    6    5    7    1                                                  
CONECT    7    6    8    4                                                  
CONECT    8    7    9    3                                                  
CONECT    9    8   10    2                                                  
CONECT   10    5    9   11                                                  
CONECT   11   10                                                            
CONECT   12   13    5                                                       
CONECT   13   12   14   15   16                                             
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16   13                                                            
MASTER        0    0    0    0    0    0    0    0   16    0   32    0
END

COMPND    HMDB0002985
HETATM    1  O1  UNL     1       3.069  -0.736  -1.179  1.00  0.00           O  
HETATM    2  P1  UNL     1       3.149  -0.070   0.194  1.00  0.00           P  
HETATM    3  O2  UNL     1       4.393  -0.682   1.116  1.00  0.00           O  
HETATM    4  O3  UNL     1       3.334   1.597  -0.086  1.00  0.00           O  
HETATM    5  O4  UNL     1       1.657  -0.305   0.931  1.00  0.00           O  
HETATM    6  C1  UNL     1       0.595  -0.213   0.013  1.00  0.00           C  
HETATM    7  C2  UNL     1      -0.145   1.051   0.374  1.00  0.00           C  
HETATM    8  O5  UNL     1       0.587   2.151  -0.067  1.00  0.00           O  
HETATM    9  C3  UNL     1      -1.445   1.033  -0.425  1.00  0.00           C  
HETATM   10  O6  UNL     1      -2.100   2.255  -0.322  1.00  0.00           O  
HETATM   11  C4  UNL     1      -2.291  -0.023   0.252  1.00  0.00           C  
HETATM   12  O7  UNL     1      -3.508  -0.064  -0.450  1.00  0.00           O  
HETATM   13  C5  UNL     1      -1.640  -1.351   0.346  1.00  0.00           C  
HETATM   14  O8  UNL     1      -2.404  -2.245  -0.445  1.00  0.00           O  
HETATM   15  C6  UNL     1      -0.220  -1.438  -0.009  1.00  0.00           C  
HETATM   16  O9  UNL     1      -0.121  -2.018  -1.298  1.00  0.00           O  
HETATM   17  H1  UNL     1       5.225  -0.657   0.572  1.00  0.00           H  
HETATM   18  H2  UNL     1       3.414   1.812  -1.034  1.00  0.00           H  
HETATM   19  H3  UNL     1       1.072   0.000  -0.990  1.00  0.00           H  
HETATM   20  H4  UNL     1      -0.322   1.146   1.452  1.00  0.00           H  
HETATM   21  H5  UNL     1       0.060   2.781  -0.602  1.00  0.00           H  
HETATM   22  H6  UNL     1      -1.198   0.739  -1.443  1.00  0.00           H  
HETATM   23  H7  UNL     1      -1.746   2.766   0.440  1.00  0.00           H  
HETATM   24  H8  UNL     1      -2.556   0.398   1.259  1.00  0.00           H  
HETATM   25  H9  UNL     1      -3.282  -0.541  -1.311  1.00  0.00           H  
HETATM   26  H10 UNL     1      -1.804  -1.722   1.400  1.00  0.00           H  
HETATM   27  H11 UNL     1      -2.067  -2.179  -1.368  1.00  0.00           H  
HETATM   28  H12 UNL     1       0.272  -2.203   0.664  1.00  0.00           H  
HETATM   29  H13 UNL     1       0.022  -1.283  -1.923  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    9   20
CONECT    8   21
CONECT    9   10   11   22
CONECT   10   23
CONECT   11   12   13   24
CONECT   12   25
CONECT   13   14   15   26
CONECT   14   27
CONECT   15   16   28
CONECT   16   29
END

HMDB0002985
     RDKit          3D
myo-Inositol 6-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
    3.0691   -0.7355   -1.1790 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1493   -0.0700    0.1936 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.3928   -0.6818    1.1161 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3338    1.5972   -0.0856 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6570   -0.3054    0.9313 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5953   -0.2130    0.0131 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1450    1.0509    0.3738 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5873    2.1514   -0.0667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4449    1.0327   -0.4249 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1005    2.2554   -0.3220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2909   -0.0225    0.2519 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5083   -0.0644   -0.4503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6400   -1.3514    0.3455 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4044   -2.2449   -0.4450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2198   -1.4384   -0.0092 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1206   -2.0181   -1.2984 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2251   -0.6572    0.5721 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4140    1.8123   -1.0342 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.0005   -0.9900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3225    1.1464    1.4515 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0604    2.7814   -0.6025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1980    0.7389   -1.4433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7457    2.7662    0.4395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559    0.3981    1.2591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2816   -0.5412   -1.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8039   -1.7223    1.4001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0673   -2.1793   -1.3684 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2720   -2.2033    0.6636 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0216   -1.2828   -1.9227 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
 15  6  1  0
  3 17  1  0
  4 18  1  0
  6 19  1  6
  7 20  1  1
  8 21  1  0
  9 22  1  6
 10 23  1  0
 11 24  1  1
 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
D-myo-Inositol (6)-monophosphate	ChEBI
D-myo-Inositol (6)-phosphate	ChEBI
I6P	ChEBI
Ins(6)P	ChEBI
Ins6P	ChEBI
D-myo-Inositol (6)-monophosphoric acid	Generator
Inositol phosphoric acid	Generator, HMDB
D-myo-Inositol (6)-phosphoric acid	Generator
1D-myo-Inositol 6-phosphoric acid	Generator, HMDB
D-myo-Inositol 6-phosphate	HMDB
D-myo-Inositol-6-monophosphate	HMDB
Inositol 1-phosphate	HMDB
Inositol monophosphate	HMDB
Inositol phosphate	HMDB
Inositophosphoric acid	HMDB

Chemical Formula

C₆H₁₃O₉P

Average Molecular Weight

260.1358

Monoisotopic Molecular Weight

260.029718526

IUPAC Name

{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphonic acid

Traditional Name

[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphonic acid

CAS Registry Number

111901-84-9

SMILES

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

InChI Identifier

InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3-,4+,5-,6-/m1/s1

InChI Key

INAPMGSXUVUWAF-XCMZKKERSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as inositol phosphates. Inositol phosphates are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Alcohols and polyols

Direct Parent

Inositol phosphates

Alternative Parents

Substituents

Inositol phosphate
Monoalkyl phosphate
Cyclohexanol
Alkyl phosphate
Phosphoric acid ester
Organic phosphoric acid derivative
Secondary alcohol
Polyol
Organic oxide
Hydrocarbon derivative
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic compounds

External Descriptors

myo-inositol monophosphate (CHEBI:64838 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Testicle (HMDB: HMDB0002985)

Biofluid or Excreta

Feces (HMDB: HMDB0002985)

Cellular element

Platelet (HMDB: HMDB0002985)

Tissue substructure

Placenta (HMDB: HMDB0002985)
Muscle (HMDB: HMDB0002985)

Cell

Nerve cell (HMDB: HMDB0002985)
Neuron (HMDB: HMDB0002985)

Hematocyte

Platelet (HMDB: HMDB0002985)

Organ

Tissue

Muscle tissue

Skeletal Muscle (HMDB: HMDB0002985)

Non-excretory biofluid

Biofluid or Excreta

Prostate Tissue (PMID: 19212411)

Excreta

Biofluid or Excreta

Feces (PMID: 22411374)

Cellular substructure

Nucleus (HMDB: HMDB0002985)

Source

Endogenous

Endogenous (HMDB: HMDB0002985)

Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)
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)

Equine

Horse (FooDB: FOOD00378)

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)

Process

Naturally occurring process

Biological process

Biochemical pathway

Prostate cancer (HMDB: HMDB0002985)

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	39.5 g/L	ALOGPS
logP	-2	ALOGPS
logP	-3.9	ChemAxon
logS	-0.82	ALOGPS
pKa (Strongest Acidic)	1.16	ChemAxon
pKa (Strongest Basic)	-3.6	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	2	ChemAxon
Refractivity	46.65 m³·mol⁻¹	ChemAxon
Polarizability	20.53 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
DarkChem	[M+H]+	157.583	31661259
DarkChem	[M-H]-	152.853	31661259
DeepCCS	[M+H]+	149.671	30932474
DeepCCS	[M-H]-	147.275	30932474
DeepCCS	[M-2H]-	181.695	30932474
DeepCCS	[M+Na]+	156.065	30932474
AllCCS	[M+H]+	157.3	32859911
AllCCS	[M+H-H2O]+	153.8	32859911
AllCCS	[M+NH4]+	160.5	32859911
AllCCS	[M+Na]+	161.5	32859911
AllCCS	[M-H]-	145.4	32859911
AllCCS	[M+Na-2H]-	145.6	32859911
AllCCS	[M+HCOO]-	146.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
myo-Inositol 6-phosphate	O[C@@H]1[C@@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H]1O	3380.4	Standard polar	33892256
myo-Inositol 6-phosphate	O[C@@H]1[C@@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H]1O	2061.3	Standard non polar	33892256
myo-Inositol 6-phosphate	O[C@@H]1[C@@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H]1O	2419.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
myo-Inositol 6-phosphate,1TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H]1O	2113.9	Semi standard non polar	33892256
myo-Inositol 6-phosphate,1TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@H](O)[C@@H]1O	2119.8	Semi standard non polar	33892256
myo-Inositol 6-phosphate,1TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@H](O)[C@H](O)[C@H]1O	2123.5	Semi standard non polar	33892256
myo-Inositol 6-phosphate,1TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O	2123.5	Semi standard non polar	33892256
myo-Inositol 6-phosphate,1TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1O	2119.8	Semi standard non polar	33892256
myo-Inositol 6-phosphate,1TMS,isomer #6	C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O	2214.4	Semi standard non polar	33892256
myo-Inositol 6-phosphate,2TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C	2111.6	Semi standard non polar	33892256
myo-Inositol 6-phosphate,2TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2125.1	Semi standard non polar	33892256
myo-Inositol 6-phosphate,2TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	2115.1	Semi standard non polar	33892256
myo-Inositol 6-phosphate,2TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H](O)[C@H]1O	2195.2	Semi standard non polar	33892256
myo-Inositol 6-phosphate,2TMS,isomer #13	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	2125.0	Semi standard non polar	33892256
myo-Inositol 6-phosphate,2TMS,isomer #14	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O	2195.2	Semi standard non polar	33892256
myo-Inositol 6-phosphate,2TMS,isomer #15	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O	2209.4	Semi standard non polar	33892256
myo-Inositol 6-phosphate,2TMS,isomer #16	C[Si](C)(C)OP(=O)(O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O)O[Si](C)(C)C	2238.7	Semi standard non polar	33892256
myo-Inositol 6-phosphate,2TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2116.6	Semi standard non polar	33892256
myo-Inositol 6-phosphate,2TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@@H]1O	2116.6	Semi standard non polar	33892256
myo-Inositol 6-phosphate,2TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1O	2111.6	Semi standard non polar	33892256
myo-Inositol 6-phosphate,2TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H]1O	2209.3	Semi standard non polar	33892256
myo-Inositol 6-phosphate,2TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2125.0	Semi standard non polar	33892256
myo-Inositol 6-phosphate,2TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@H]1O	2115.1	Semi standard non polar	33892256
myo-Inositol 6-phosphate,2TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O	2119.1	Semi standard non polar	33892256
myo-Inositol 6-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)[C@H](O)[C@H](O)[C@@H]1O	2209.4	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2100.3	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O	2166.8	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H]1O	2192.9	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2094.2	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2136.1	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TMS,isomer #14	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2165.0	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TMS,isomer #15	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	2136.1	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TMS,isomer #16	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O	2168.5	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TMS,isomer #17	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O	2200.2	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TMS,isomer #18	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)[C@H](O)[C@H](O)[C@@H]1O	2198.5	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TMS,isomer #19	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2094.2	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@H]1O	2124.7	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TMS,isomer #20	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2163.9	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TMS,isomer #21	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	2168.5	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TMS,isomer #22	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H](O)[C@H]1O	2196.4	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TMS,isomer #23	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	2165.0	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TMS,isomer #24	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O	2196.4	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TMS,isomer #25	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	2198.5	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2140.1	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C	2166.8	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2124.7	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2132.7	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2164.0	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2100.3	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TMS,isomer #9	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	2164.0	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O)[C@@H]1O	2177.7	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2220.0	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TMS,isomer #11	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2175.2	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2164.1	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	2175.2	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TMS,isomer #14	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	2176.3	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TMS,isomer #15	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2190.0	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TMS,isomer #16	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2166.8	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TMS,isomer #17	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2219.1	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TMS,isomer #18	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2144.9	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TMS,isomer #19	C[Si](C)(C)O[C@H]1[C@H](O)[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	2219.1	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2186.2	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TMS,isomer #20	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	2180.2	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TMS,isomer #21	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)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O	2250.1	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TMS,isomer #22	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2166.8	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TMS,isomer #23	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2147.1	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TMS,isomer #24	C[Si](C)(C)O[C@@H]1[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](O)[C@H]1O	2180.2	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TMS,isomer #25	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	2144.9	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2164.1	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@H](O)[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	2177.7	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O	2211.2	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](O)[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	2223.7	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TMS,isomer #7	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)[C@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C	2176.3	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2186.2	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TMS,isomer #9	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2211.2	Semi standard non polar	33892256
myo-Inositol 6-phosphate,5TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2213.2	Semi standard non polar	33892256
myo-Inositol 6-phosphate,5TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2280.1	Semi standard non polar	33892256
myo-Inositol 6-phosphate,5TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2241.4	Semi standard non polar	33892256
myo-Inositol 6-phosphate,5TMS,isomer #12	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2244.7	Semi standard non polar	33892256
myo-Inositol 6-phosphate,5TMS,isomer #13	C[Si](C)(C)O[C@@H]1[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](O)[C@H]1O[Si](C)(C)C	2234.3	Semi standard non polar	33892256
myo-Inositol 6-phosphate,5TMS,isomer #14	C[Si](C)(C)O[C@@H]1[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](O)[C@H]1O[Si](C)(C)C	2273.2	Semi standard non polar	33892256
myo-Inositol 6-phosphate,5TMS,isomer #15	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)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	2273.2	Semi standard non polar	33892256
myo-Inositol 6-phosphate,5TMS,isomer #16	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2234.3	Semi standard non polar	33892256
myo-Inositol 6-phosphate,5TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O	2244.9	Semi standard non polar	33892256
myo-Inositol 6-phosphate,5TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2247.4	Semi standard non polar	33892256
myo-Inositol 6-phosphate,5TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2241.4	Semi standard non polar	33892256
myo-Inositol 6-phosphate,5TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](O)[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	2244.9	Semi standard non polar	33892256
myo-Inositol 6-phosphate,5TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	2270.4	Semi standard non polar	33892256
myo-Inositol 6-phosphate,5TMS,isomer #7	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)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2265.7	Semi standard non polar	33892256
myo-Inositol 6-phosphate,5TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2247.4	Semi standard non polar	33892256
myo-Inositol 6-phosphate,5TMS,isomer #9	C[Si](C)(C)O[C@@H]1[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](O[Si](C)(C)C)[C@H]1O	2270.4	Semi standard non polar	33892256
myo-Inositol 6-phosphate,6TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2273.6	Semi standard non polar	33892256
myo-Inositol 6-phosphate,6TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2307.9	Standard non polar	33892256
myo-Inositol 6-phosphate,6TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2556.8	Standard polar	33892256
myo-Inositol 6-phosphate,6TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	2278.3	Semi standard non polar	33892256
myo-Inositol 6-phosphate,6TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	2334.6	Standard non polar	33892256
myo-Inositol 6-phosphate,6TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	2476.6	Standard polar	33892256
myo-Inositol 6-phosphate,6TMS,isomer #3	C[Si](C)(C)O[C@@H]1[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](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2277.8	Semi standard non polar	33892256
myo-Inositol 6-phosphate,6TMS,isomer #3	C[Si](C)(C)O[C@@H]1[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](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2333.8	Standard non polar	33892256
myo-Inositol 6-phosphate,6TMS,isomer #3	C[Si](C)(C)O[C@@H]1[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](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2474.3	Standard polar	33892256
myo-Inositol 6-phosphate,6TMS,isomer #4	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)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2278.3	Semi standard non polar	33892256
myo-Inositol 6-phosphate,6TMS,isomer #4	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)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2334.6	Standard non polar	33892256
myo-Inositol 6-phosphate,6TMS,isomer #4	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)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2476.6	Standard polar	33892256
myo-Inositol 6-phosphate,6TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2277.8	Semi standard non polar	33892256
myo-Inositol 6-phosphate,6TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2333.8	Standard non polar	33892256
myo-Inositol 6-phosphate,6TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2474.3	Standard polar	33892256
myo-Inositol 6-phosphate,6TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2273.5	Semi standard non polar	33892256
myo-Inositol 6-phosphate,6TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2330.3	Standard non polar	33892256
myo-Inositol 6-phosphate,6TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2473.4	Standard polar	33892256
myo-Inositol 6-phosphate,7TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2327.1	Semi standard non polar	33892256
myo-Inositol 6-phosphate,7TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2392.6	Standard non polar	33892256
myo-Inositol 6-phosphate,7TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2460.1	Standard polar	33892256
myo-Inositol 6-phosphate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H]1O	2429.8	Semi standard non polar	33892256
myo-Inositol 6-phosphate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@H](O)[C@@H]1O	2423.6	Semi standard non polar	33892256
myo-Inositol 6-phosphate,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@H](O)[C@H](O)[C@H]1O	2413.1	Semi standard non polar	33892256
myo-Inositol 6-phosphate,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O	2413.1	Semi standard non polar	33892256
myo-Inositol 6-phosphate,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1O	2423.6	Semi standard non polar	33892256
myo-Inositol 6-phosphate,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O	2504.6	Semi standard non polar	33892256
myo-Inositol 6-phosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	2615.5	Semi standard non polar	33892256
myo-Inositol 6-phosphate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O)O	2610.2	Semi standard non polar	33892256
myo-Inositol 6-phosphate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	2616.0	Semi standard non polar	33892256
myo-Inositol 6-phosphate,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H](O)[C@H]1O	2662.5	Semi standard non polar	33892256
myo-Inositol 6-phosphate,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	2616.2	Semi standard non polar	33892256
myo-Inositol 6-phosphate,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O	2662.5	Semi standard non polar	33892256
myo-Inositol 6-phosphate,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O	2672.2	Semi standard non polar	33892256
myo-Inositol 6-phosphate,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OP(=O)(O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C	2718.7	Semi standard non polar	33892256
myo-Inositol 6-phosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](OP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	2610.7	Semi standard non polar	33892256
myo-Inositol 6-phosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	2610.7	Semi standard non polar	33892256
myo-Inositol 6-phosphate,2TBDMS,isomer #4	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](O)[C@@H](OP(=O)(O)O)[C@@H]1O	2615.5	Semi standard non polar	33892256
myo-Inositol 6-phosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O	2679.6	Semi standard non polar	33892256
myo-Inositol 6-phosphate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	2616.2	Semi standard non polar	33892256
myo-Inositol 6-phosphate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OP(=O)(O)O)[C@H]1O	2616.0	Semi standard non polar	33892256
myo-Inositol 6-phosphate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	2639.0	Semi standard non polar	33892256
myo-Inositol 6-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)[C@H](O)[C@H](O)[C@@H]1O	2672.2	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](OP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	2754.9	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TBDMS,isomer #10	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](O)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O	2810.9	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](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	2833.6	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	2754.8	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	2773.5	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	2807.2	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[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	2773.5	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[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)[C@H]1O	2815.8	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TBDMS,isomer #17	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)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	2834.7	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TBDMS,isomer #18	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)[C@H](O)[C@H](O)[C@@H]1O	2831.1	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[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]1OP(=O)(O)O	2754.8	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TBDMS,isomer #2	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](O[Si](C)(C)C(C)(C)C)[C@H](OP(=O)(O)O)[C@H]1O	2760.6	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	2802.8	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)O[C@@H]1[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](O)[C@H]1O	2815.8	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)O[C@@H]1[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](O)[C@H]1O	2820.6	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	2807.2	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)O[C@H]1[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](O)[C@H]1O	2820.6	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O	2831.1	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[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	2772.7	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TBDMS,isomer #4	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)[C@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	2810.9	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[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]1O	2760.6	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TBDMS,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](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O)O	2772.7	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[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]1O	2810.8	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	2754.9	Semi standard non polar	33892256
myo-Inositol 6-phosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[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]1O	2810.8	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TBDMS,isomer #1	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](O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O)[C@@H]1O	3013.2	Semi standard non polar	33892256
myo-Inositol 6-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](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3035.2	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[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]1O	3015.8	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[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]1O[Si](C)(C)C(C)(C)C	3008.5	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[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]1O	3015.8	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TBDMS,isomer #14	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](O)[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O	3015.5	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TBDMS,isomer #15	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](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O)O	3008.0	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)O[C@@H]1[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](O)[C@H]1O[Si](C)(C)C(C)(C)C	3012.3	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)O[C@@H]1[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](O)[C@H]1O[Si](C)(C)C(C)(C)C	3035.1	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)O[C@@H]1[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](O)[C@H]1O[Si](C)(C)C(C)(C)C	3003.0	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TBDMS,isomer #19	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)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3035.1	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[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]1O[Si](C)(C)C(C)(C)C	3014.0	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[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)[C@H]1O	3023.9	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TBDMS,isomer #21	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)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3046.1	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[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]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3012.3	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3001.8	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)O[C@@H]1[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](O)[C@H]1O	3023.9	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)O[C@H]1[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](O)[C@H]1O[Si](C)(C)C(C)(C)C	3003.0	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[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]1O[Si](C)(C)C(C)(C)C	3008.5	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[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	3013.2	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TBDMS,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](O[Si](C)(C)C(C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O	3024.7	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TBDMS,isomer #6	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)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3028.5	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TBDMS,isomer #7	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)[C@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3015.5	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TBDMS,isomer #8	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](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O)O	3014.0	Semi standard non polar	33892256
myo-Inositol 6-phosphate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@@H]1[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](O[Si](C)(C)C(C)(C)C)[C@H]1O	3024.7	Semi standard non polar	33892256
myo-Inositol 6-phosphate,5TBDMS,isomer #1	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](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O)O	3259.1	Semi standard non polar	33892256
myo-Inositol 6-phosphate,5TBDMS,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](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3252.2	Semi standard non polar	33892256
myo-Inositol 6-phosphate,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[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]1O[Si](C)(C)C(C)(C)C	3230.6	Semi standard non polar	33892256
myo-Inositol 6-phosphate,5TBDMS,isomer #12	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](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3257.1	Semi standard non polar	33892256
myo-Inositol 6-phosphate,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@@H]1[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](O)[C@H]1O[Si](C)(C)C(C)(C)C	3232.5	Semi standard non polar	33892256
myo-Inositol 6-phosphate,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@@H]1[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](O)[C@H]1O[Si](C)(C)C(C)(C)C	3252.9	Semi standard non polar	33892256
myo-Inositol 6-phosphate,5TBDMS,isomer #15	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)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3252.9	Semi standard non polar	33892256
myo-Inositol 6-phosphate,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[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]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3232.5	Semi standard non polar	33892256
myo-Inositol 6-phosphate,5TBDMS,isomer #2	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](O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O	3260.6	Semi standard non polar	33892256
myo-Inositol 6-phosphate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[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](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3258.1	Semi standard non polar	33892256
myo-Inositol 6-phosphate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[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]1O[Si](C)(C)C(C)(C)C	3230.6	Semi standard non polar	33892256
myo-Inositol 6-phosphate,5TBDMS,isomer #5	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)[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	3260.8	Semi standard non polar	33892256
myo-Inositol 6-phosphate,5TBDMS,isomer #6	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](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)[C@H]1O	3247.6	Semi standard non polar	33892256
myo-Inositol 6-phosphate,5TBDMS,isomer #7	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)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3247.7	Semi standard non polar	33892256
myo-Inositol 6-phosphate,5TBDMS,isomer #8	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](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3258.1	Semi standard non polar	33892256
myo-Inositol 6-phosphate,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@@H]1[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](O[Si](C)(C)C(C)(C)C)[C@H]1O	3247.6	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 - myo-Inositol 6-phosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-0005-9650000000-8feb65965bdf1456b458	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - myo-Inositol 6-phosphate GC-MS (5 TMS) - 70eV, Positive	splash10-0a4r-2184339000-409fe8e34ab4403363db	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - myo-Inositol 6-phosphate GC-MS (TBDMS_5_5) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - myo-Inositol 6-phosphate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - myo-Inositol 6-phosphate GC-MS ("myo-Inositol 6-phosphate,5TBDMS,#5" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - myo-Inositol 6-phosphate 10V, Positive-QTOF	splash10-03di-2390000000-036684c0736cc37701a9	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - myo-Inositol 6-phosphate 20V, Positive-QTOF	splash10-03dl-2290000000-2692f0855292325fd753	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - myo-Inositol 6-phosphate 40V, Positive-QTOF	splash10-000w-9600000000-81c4994a2212052d4690	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - myo-Inositol 6-phosphate 10V, Negative-QTOF	splash10-0a4i-4190000000-f8cff124acad5d21332f	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - myo-Inositol 6-phosphate 20V, Negative-QTOF	splash10-004i-9220000000-2153b6c9b35a97307acb	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - myo-Inositol 6-phosphate 40V, Negative-QTOF	splash10-004i-9000000000-5f386828ffd5102695f3	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - myo-Inositol 6-phosphate 10V, Negative-QTOF	splash10-0a4i-0090000000-05d6010bb4bbf2b0c228	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - myo-Inositol 6-phosphate 20V, Negative-QTOF	splash10-0a6s-9280000000-69bd06f4ab8866ad9db1	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - myo-Inositol 6-phosphate 40V, Negative-QTOF	splash10-004j-9000000000-f3e6675946c65f8f8f07	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - myo-Inositol 6-phosphate 10V, Positive-QTOF	splash10-03di-0090000000-89fa9427c518aa95bbd0	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - myo-Inositol 6-phosphate 20V, Positive-QTOF	splash10-03di-0190000000-fa4c1ecfe995d290a153	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - myo-Inositol 6-phosphate 40V, Positive-QTOF	splash10-0002-9100000000-fc4055901243469636ad	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Nucleus

Biospecimen Locations

Feces
Prostate Tissue

Tissue Locations

Bladder
Brain
Kidney
Neuron
Placenta
Platelet
Prostate
Skeletal Muscle
Testis

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Feces	Detected but not Quantified	Not Quantified	Infant (0-1 year old)	Both	Normal	22411374	details
Feces	Detected but not Quantified	Not Quantified	Infant (0-1 year old)	Not Specified	Normal	24628373	details
Feces	Detected but not Quantified	Not Quantified	Infant (0-1 year old)	Not Specified	Normal	24628373	details
Feces	Detected but not Quantified	Not Quantified	Infant (0-1 year old)	Not Available	Normal	24628373	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Prostate Tissue	Detected and Quantified	0.5 (0.0-1.0) umol/g tissue	Adult (>18 years old)	Both	Prostate Cancer	19212411	details

Associated Disorders and Diseases

Disease References

Prostate cancer

Sreekumar A, Poisson LM, Rajendiran TM, Khan AP, Cao Q, Yu J, Laxman B, Mehra R, Lonigro RJ, Li Y, Nyati MK, Ahsan A, Kalyana-Sundaram S, Han B, Cao X, Byun J, Omenn GS, Ghosh D, Pennathur S, Alexander DC, Berger A, Shuster JR, Wei JT, Varambally S, Beecher C, Chinnaiyan AM: Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression. Nature. 2009 Feb 12;457(7231):910-4. doi: 10.1038/nature07762. [PubMed:19212411 ]

Associated OMIM IDs

176807 (Prostate cancer)

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB023090

KNApSAcK ID

Not Available

Chemspider ID

10465039

KEGG Compound ID

Not Available

BioCyc ID

CPD-6702

BiGG ID

1484840

Wikipedia Link

Inositol phosphate

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

64838

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Pirrung, Michael C. Discovery of a catalytic asymmetric phosphorylation through selection of a minimal kinase mimic: A concise total synthesis of D-myo-inositol-1-phosphate. Chemtracts (2001), 14(14), 802-804.

Material Safety Data Sheet (MSDS)

Not Available

General References

Sreekumar A, Poisson LM, Rajendiran TM, Khan AP, Cao Q, Yu J, Laxman B, Mehra R, Lonigro RJ, Li Y, Nyati MK, Ahsan A, Kalyana-Sundaram S, Han B, Cao X, Byun J, Omenn GS, Ghosh D, Pennathur S, Alexander DC, Berger A, Shuster JR, Wei JT, Varambally S, Beecher C, Chinnaiyan AM: Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression. Nature. 2009 Feb 12;457(7231):910-4. doi: 10.1038/nature07762. [PubMed:19212411 ]
Jooste EH, Sharma A, Zhang Y, Emala CW: Rapacuronium augments acetylcholine-induced bronchoconstriction via positive allosteric interactions at the M3 muscarinic receptor. Anesthesiology. 2005 Dec;103(6):1195-203. [PubMed:16306732 ]
Buccellati C, Sala A, Rossoni G, Capra V, Rovati GE, Di Gennaro A, Folco G, Colli S, Casagrande C: Pharmacological characterization of 2NTX-99 [4-methoxy-N1-(4-trans-nitrooxycyclohexyl)-N3-(3-pyridinylmethyl)-1,3-benzenedica rboxamide], a potential antiatherothrombotic agent with antithromboxane and nitric oxide donor activity in platelet and vascular preparations. J Pharmacol Exp Ther. 2006 May;317(2):830-7. Epub 2006 Jan 6. [PubMed:16399881 ]
Honchar MP, Olney JW, Sherman WR: Systemic cholinergic agents induce seizures and brain damage in lithium-treated rats. Science. 1983 Apr 15;220(4594):323-5. [PubMed:6301005 ]
Grimminger F, Rose F, Sibelius U, Meinhardt M, Potzsch B, Spriestersbach R, Bhakdi S, Suttorp N, Seeger W: Human endothelial cell activation and mediator release in response to the bacterial exotoxins Escherichia coli hemolysin and staphylococcal alpha-toxin. J Immunol. 1997 Aug 15;159(4):1909-16. [PubMed:9257856 ]
Kato T, Shioiri T, Takahashi S, Inubushi T: Measurement of brain phosphoinositide metabolism in bipolar patients using in vivo 31P-MRS. J Affect Disord. 1991 Aug;22(4):185-90. [PubMed:1658103 ]
Waldo GL, Corbitt J, Boyer JL, Ravi G, Kim HS, Ji XD, Lacy J, Jacobson KA, Harden TK: Quantitation of the P2Y(1) receptor with a high affinity radiolabeled antagonist. Mol Pharmacol. 2002 Nov;62(5):1249-57. [PubMed:12391289 ]
King WG, Rittenhouse SE: Inhibition of protein kinase C by staurosporine promotes elevated accumulations of inositol trisphosphates and tetrakisphosphate in human platelets exposed to thrombin. J Biol Chem. 1989 Apr 15;264(11):6070-4. [PubMed:2703480 ]
Chen WY, Ko FN, Lin CN, Teng CM: The effect of 3-[2-(cyclopropylamino)ethoxy]xanthone on platelet thromboxane formation. Thromb Res. 1994 Jul 1;75(1):81-90. [PubMed:8073410 ]
Siess W: Evidence for the formation of inositol 4-monophosphate in stimulated human platelets. FEBS Lett. 1985 Jun 3;185(1):151-6. [PubMed:3996593 ]
Fourcade O, Simon MF, Litt L, Samii K, Chap H: Propofol inhibits human platelet aggregation induced by proinflammatory lipid mediators. Anesth Analg. 2004 Aug;99(2):393-8, table of contents. [PubMed:15271713 ]
Ishii H, Umeda F, Hashimoto T, Nawata H: Increased inositol phosphate accumulation in platelets from patients with NIDDM. Diabetes Res Clin Pract. 1991 Oct;14(1):21-7. [PubMed:1660805 ]
Bae YS, Cantley LG, Chen CS, Kim SR, Kwon KS, Rhee SG: Activation of phospholipase C-gamma by phosphatidylinositol 3,4,5-trisphosphate. J Biol Chem. 1998 Feb 20;273(8):4465-9. [PubMed:9468499 ]
Williams RS: Pharmacogenetics in model systems: defining a common mechanism of action for mood stabilisers. Prog Neuropsychopharmacol Biol Psychiatry. 2005 Jul;29(6):1029-37. [PubMed:15950352 ]
Ross TS, Majerus PW: Inositol-1,2-cyclic-phosphate 2-inositolphosphohydrolase. Substrate specificity and regulation of activity by phospholipids, metal ion chelators, and inositol 2-phosphate. J Biol Chem. 1991 Jan 15;266(2):851-6. [PubMed:1845995 ]
Kories C, Czyborra C, Fetscher C, Schneider T, Krege S, Michel MC: Gender comparison of muscarinic receptor expression and function in rat and human urinary bladder: differential regulation of M2 and M3 receptors? Naunyn Schmiedebergs Arch Pharmacol. 2003 May;367(5):524-31. Epub 2003 Mar 28. [PubMed:12669188 ]
Morou E, Georgoussi Z: Expression of the third intracellular loop of the delta-opioid receptor inhibits signaling by opioid receptors and other G protein-coupled receptors. J Pharmacol Exp Ther. 2005 Dec;315(3):1368-79. Epub 2005 Sep 13. [PubMed:16160084 ]

Enzymes

Enzyme Details

1. Annexin A3

General function:: Involved in calcium ion binding
Specific function:: Inhibitor of phospholipase A2, also possesses anti- coagulant properties. Also cleaves the cyclic bond of inositol 1,2-cyclic phosphate to form inositol 1-phosphate
Gene Name:: ANXA3
Uniprot ID:: P12429
Molecular weight:: 36374.8

Enzyme Details

2. Inositol monophosphatase 1

General function:: Involved in inositol or phosphatidylinositol phosphatase activity
Specific function:: Responsible for the provision of inositol required for synthesis of phosphatidylinositol and polyphosphoinositides and has been implicated as the pharmacological target for lithium action in brain. Can use myo-inositol monophosphates, myo-inositol 1,3-diphosphate, myo-inositol 1,4-diphosphate, scyllo-inositol-phosphate, glucose-1-phosphate, glucose-6-phosphate, fructose-1-phosphate, beta-glycerophosphate, and 2'-AMP as substrates.
Gene Name:: IMPA1
Uniprot ID:: P29218
Molecular weight:: 36694.375

Reactions

myo-Inositol 6-phosphate + Water → myo-Inositol + Phosphate	details

Enzyme Details

3. Inositol monophosphatase 2

General function:: Involved in inositol or phosphatidylinositol phosphatase activity
Specific function:: Can use myo-inositol monophosphates, scylloinositol 1,4-diphosphate, glucose-1-phosphate, beta-glycerophosphate, and 2'-AMP as substrates. Has been implicated as the pharmacological target for lithium Li(+) action in brain.
Gene Name:: IMPA2
Uniprot ID:: O14732
Molecular weight:: 31320.525

Reactions

myo-Inositol 6-phosphate + Water → myo-Inositol + Phosphate	details

Enzyme Details

4. Myotubularin

General function:: Involved in phosphatase activity
Specific function:: Lipid phosphatase which dephosphorylates phosphatidylinositol 3-monophosphate (PI3P) and phosphatidylinositol 3,5-bisphosphate (PI(3,5)P2). Has also been shown to dephosphorylate phosphotyrosine- and phosphoserine-containing peptides. Negatively regulates EGFR degradation through regulation of EGFR trafficking from the late endosome to the lysosome. Plays a role in vacuolar formation and morphology. Regulates desmin intermediate filament assembly and architecture. Plays a role in mitochondrial morphology and positioning. Required for skeletal muscle maintenance but not for myogenesis.
Gene Name:: MTM1
Uniprot ID:: Q13496
Molecular weight:: 69931.09

Reactions

D-myo-Inositol 1,3-bisphosphate + Water → myo-Inositol 6-phosphate + Phosphate	details

Enzyme Details

5. Inositol-3-phosphate synthase 1

General function:: Involved in inositol-3-phosphate synthase activity
Specific function:: Key enzyme in myo-inositol biosynthesis pathway that catalyzes the conversion of glucose 6-phosphate to 1-myo-inositol 1-phosphate in a NAD-dependent manner. Rate-limiting enzyme in the synthesis of all inositol-containing compounds.
Gene Name:: ISYNA1
Uniprot ID:: Q9NPH2
Molecular weight:: 55135.445

Enzyme Details

6. Inositol monophosphatase 3

General function:: Involved in inositol or phosphatidylinositol phosphatase activity
Specific function:: May play a role in the formation of skeletal elements derived through endochondral ossification, possibly by clearing adenosine 3',5'-bisphosphate produced by Golgi sulfotransferases during glycosaminoglycan sulfation (By similarity).
Gene Name:: IMPAD1
Uniprot ID:: Q9NX62
Molecular weight:: 38681.15

Reactions

myo-Inositol 6-phosphate + Water → myo-Inositol + Phosphate	details

Enzyme Details

7. Glycerophosphoinositol inositolphosphodiesterase GDPD2

General function:: Involved in glycerophosphodiester phosphodiesterase activity
Specific function:: Has glycerophosphoinositol inositolphosphodiesterase activity and specifically hydrolyzes glycerophosphoinositol, with no activity for other substrates such as glycerophosphoinositol 4-phosphate, glycerophosphocholine, glycerophosphoethanolamine, and glycerophosphoserine. Accelerates the program of osteoblast differentiation and growth. May play a role in remodeling of the actin cytoskeleton (By similarity).
Gene Name:: GDPD2
Uniprot ID:: Q9HCC8
Molecular weight:: 52185.905

Reactions

Glycerophosphoinositol + Water → Glycerol + myo-Inositol 6-phosphate	details

Showing metabocard for myo-Inositol 6-phosphate (HMDB0002985)

MOL for HMDB0002985 (myo-Inositol 6-phosphate)

3D MOL for HMDB0002985 (myo-Inositol 6-phosphate)

3D SDF for HMDB0002985 (myo-Inositol 6-phosphate)

3D-SDF for HMDB0002985 (myo-Inositol 6-phosphate)

PDB for HMDB0002985 (myo-Inositol 6-phosphate)

3D PDB for HMDB0002985 (myo-Inositol 6-phosphate)

SMILES for HMDB0002985 (myo-Inositol 6-phosphate)

INCHI for HMDB0002985 (myo-Inositol 6-phosphate)

Structure for HMDB0002985 (myo-Inositol 6-phosphate)

3D Structure for HMDB0002985 (myo-Inositol 6-phosphate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions

Reactions

Reactions

Reactions

Reactions