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enzymes (5) Show 5 proteins

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2008-08-12 13:58:54 UTC

Update Date

2021-09-16 15:27:42 UTC

HMDB ID

HMDB0006814

Secondary Accession Numbers

HMDB06814

Metabolite Identification

Common Name

D-myo-Inositol 3-phosphate

Description

D-myo-Inositol 3-phosphate, also known as inositol 3-phosphoric acid, 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. D-myo-Inositol 3-phosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). D-myo-Inositol 3-phosphate is involved in the inositol phosphate metabolism and the phosphatidylinositol signalling systems. D-myo-Inositol 3-phosphate is created from D-myo-inositol 3,4-bisphosphate by inositol polyphosphate-4-phosphatase (EC 3.1.3.66) and is converted into myo-inositol by myo-inositol-1(or 4)-monophosphatase (EC 3.1.3.25).

Structure

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

HMDB0006814
     RDKit          3D
D-myo-Inositol 3-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
    4.0580    1.0871    1.2316 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1787    0.5548    0.1222 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.8349    1.0774   -1.3426 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3073   -1.1482    0.1477 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5758    1.0360    0.3090 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6763    0.0146   -0.0423 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1075   -0.3462    1.1900 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2282    0.7166    2.0817 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4584   -0.9238    0.8929 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1386   -1.0367    2.1066 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2863   -0.1210   -0.0440 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7881   -0.9598   -1.0635 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5362    0.9852   -0.7321 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3651    2.0622    0.1218 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2077    0.3936   -1.1856 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5499   -0.8045   -1.8558 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8261    0.9735   -1.2618 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3212   -1.5026   -0.7817 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3016   -0.8493   -0.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4745   -1.1343    1.7261 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5909    1.2562    2.1458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3233   -1.9664    0.4993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3856   -1.9565    2.3082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1765    0.3391    0.4449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7407   -1.1249   -0.9598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0636    1.2895   -1.6618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1779    2.0970    0.7167 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2930    1.0192   -1.9404 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0955   -1.0276   -2.5607 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  6
 14 27  1  0
 15 28  1  6
 16 29  1  0
M  END


  Mrv1652303062020202D          

 16 16  0  0  0  0            999 V2000
 9998.976110000.9515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9752 9999.3017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.829710000.9498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.687810000.5389    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9999.6878 9999.7139    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.4025 9999.3014    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10001.1169 9999.7139    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10001.117010000.5389    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.402410000.9516    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10000.402510001.7739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.4024 9998.4776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.8307 9999.3035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.8302 9998.4784    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10002.6533 9998.4790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.1158 9998.0654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.2412 9997.7653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  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
  4  1  1  1  0  0  0
  5  2  1  6  0  0  0
  8  3  1  6  0  0  0
  9 10  1  6  0  0  0
  6 11  1  1  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
  7 12  1  6  0  0  0
M  END
> <DATABASE_ID>
HMDB0006814

> <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-/m0/s1

> <INCHI_KEY>
INAPMGSXUVUWAF-PTQMNWPWSA-N

> <FORMULA>
C6H13O9P

> <MOLECULAR_WEIGHT>
260.1358

> <EXACT_MASS>
260.029718526

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
20.634480013236395

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(1R,2S,3R,4R,5S,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>
46.6479

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.95e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
myo-inositol 1-phosphate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0006814
     RDKit          3D
D-myo-Inositol 3-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
    4.0580    1.0871    1.2316 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1787    0.5548    0.1222 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.8349    1.0774   -1.3426 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3073   -1.1482    0.1477 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5758    1.0360    0.3090 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6763    0.0146   -0.0423 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1075   -0.3462    1.1900 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2282    0.7166    2.0817 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4584   -0.9238    0.8929 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1386   -1.0367    2.1066 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2863   -0.1210   -0.0440 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7881   -0.9598   -1.0635 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5362    0.9852   -0.7321 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3651    2.0622    0.1218 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2077    0.3936   -1.1856 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5499   -0.8045   -1.8558 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8261    0.9735   -1.2618 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3212   -1.5026   -0.7817 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3016   -0.8493   -0.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4745   -1.1343    1.7261 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5909    1.2562    2.1458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3233   -1.9664    0.4993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3856   -1.9565    2.3082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1765    0.3391    0.4449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7407   -1.1249   -0.9598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0636    1.2895   -1.6618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1779    2.0970    0.7167 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2930    1.0192   -1.9404 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0955   -1.0276   -2.5607 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  6
 14 27  1  0
 15 28  1  6
 16 29  1  0
M  END

HEADER    PROTEIN                                 06-MAR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAR-20         0                                  
HETATM    1  O   UNK     0    8664.7558668.443   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0    8664.7548665.363   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0    8670.0828668.440   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0    8666.0848667.673   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    8666.0848666.133   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    8667.4188665.363   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8668.7528666.133   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8668.7528667.673   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8667.4188668.443   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0    8667.4188669.978   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0    8667.4188663.825   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0    8670.0848665.367   0.000  0.00  0.00           O+0
HETATM   13  P   UNK     0    8670.0838663.826   0.000  0.00  0.00           P+0
HETATM   14  O   UNK     0    8671.6198663.827   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0    8668.7498663.055   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0    8670.8508662.495   0.000  0.00  0.00           O+0
CONECT    1    4                                                            
CONECT    2    5                                                            
CONECT    3    8                                                            
CONECT    4    5    9    1                                                  
CONECT    5    4    6    2                                                  
CONECT    6    5    7   11                                                  
CONECT    7    6    8   12                                                  
CONECT    8    7    9    3                                                  
CONECT    9    4    8   10                                                  
CONECT   10    9                                                            
CONECT   11    6                                                            
CONECT   12   13    7                                                       
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    HMDB0006814
HETATM    1  O1  UNL     1       4.058   1.087   1.232  1.00  0.00           O  
HETATM    2  P1  UNL     1       3.179   0.555   0.122  1.00  0.00           P  
HETATM    3  O2  UNL     1       3.835   1.077  -1.343  1.00  0.00           O  
HETATM    4  O3  UNL     1       3.307  -1.148   0.148  1.00  0.00           O  
HETATM    5  O4  UNL     1       1.576   1.036   0.309  1.00  0.00           O  
HETATM    6  C1  UNL     1       0.676   0.015  -0.042  1.00  0.00           C  
HETATM    7  C2  UNL     1      -0.107  -0.346   1.190  1.00  0.00           C  
HETATM    8  O5  UNL     1      -0.228   0.717   2.082  1.00  0.00           O  
HETATM    9  C3  UNL     1      -1.458  -0.924   0.893  1.00  0.00           C  
HETATM   10  O6  UNL     1      -2.139  -1.037   2.107  1.00  0.00           O  
HETATM   11  C4  UNL     1      -2.286  -0.121  -0.044  1.00  0.00           C  
HETATM   12  O7  UNL     1      -2.788  -0.960  -1.064  1.00  0.00           O  
HETATM   13  C5  UNL     1      -1.536   0.985  -0.732  1.00  0.00           C  
HETATM   14  O8  UNL     1      -1.365   2.062   0.122  1.00  0.00           O  
HETATM   15  C6  UNL     1      -0.208   0.394  -1.186  1.00  0.00           C  
HETATM   16  O9  UNL     1      -0.550  -0.805  -1.856  1.00  0.00           O  
HETATM   17  H1  UNL     1       4.826   0.973  -1.262  1.00  0.00           H  
HETATM   18  H2  UNL     1       3.321  -1.503  -0.782  1.00  0.00           H  
HETATM   19  H3  UNL     1       1.302  -0.849  -0.354  1.00  0.00           H  
HETATM   20  H4  UNL     1       0.474  -1.134   1.726  1.00  0.00           H  
HETATM   21  H5  UNL     1       0.591   1.256   2.146  1.00  0.00           H  
HETATM   22  H6  UNL     1      -1.323  -1.966   0.499  1.00  0.00           H  
HETATM   23  H7  UNL     1      -2.386  -1.957   2.308  1.00  0.00           H  
HETATM   24  H8  UNL     1      -3.176   0.339   0.445  1.00  0.00           H  
HETATM   25  H9  UNL     1      -3.741  -1.125  -0.960  1.00  0.00           H  
HETATM   26  H10 UNL     1      -2.064   1.289  -1.662  1.00  0.00           H  
HETATM   27  H11 UNL     1      -2.178   2.097   0.717  1.00  0.00           H  
HETATM   28  H12 UNL     1       0.293   1.019  -1.940  1.00  0.00           H  
HETATM   29  H13 UNL     1       0.095  -1.028  -2.561  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

HMDB0006814
     RDKit          3D
D-myo-Inositol 3-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
    4.0580    1.0871    1.2316 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1787    0.5548    0.1222 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.8349    1.0774   -1.3426 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3073   -1.1482    0.1477 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5758    1.0360    0.3090 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6763    0.0146   -0.0423 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1075   -0.3462    1.1900 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2282    0.7166    2.0817 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4584   -0.9238    0.8929 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1386   -1.0367    2.1066 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2863   -0.1210   -0.0440 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7881   -0.9598   -1.0635 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5362    0.9852   -0.7321 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3651    2.0622    0.1218 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2077    0.3936   -1.1856 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5499   -0.8045   -1.8558 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8261    0.9735   -1.2618 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3212   -1.5026   -0.7817 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3016   -0.8493   -0.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4745   -1.1343    1.7261 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5909    1.2562    2.1458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3233   -1.9664    0.4993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3856   -1.9565    2.3082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1765    0.3391    0.4449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7407   -1.1249   -0.9598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0636    1.2895   -1.6618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1779    2.0970    0.7167 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2930    1.0192   -1.9404 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0955   -1.0276   -2.5607 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  6
 14 27  1  0
 15 28  1  6
 16 29  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
1D-Myo-inositol 3-monophosphate	ChEBI
1l-Myo-inositol 1-phosphate	ChEBI
D-Myo-inositol 3-monophosphate	ChEBI
Inositol 3-phosphate	ChEBI
L-Myo-inositol 1-phosphate	ChEBI
Myoinositol 3-phosphate	ChEBI
Myo-inositol 3-phosphate	Kegg
Myo-inositol 3-monophosphate	Kegg
Inositol 3-monophosphate	Kegg
1D-Myo-inositol 3-monophosphoric acid	Generator
1l-Myo-inositol 1-phosphoric acid	Generator
D-Myo-inositol 3-monophosphoric acid	Generator
Inositol 3-phosphoric acid	Generator
L-Myo-inositol 1-phosphoric acid	Generator
Myoinositol 3-phosphoric acid	Generator
Myo-inositol 3-phosphoric acid	Generator
Myo-inositol 3-monophosphoric acid	Generator
Inositol 3-monophosphoric acid	Generator
D-Myo-inositol 3-phosphoric acid	Generator
Myo-inositol 1-phosphoric acid	HMDB
1-(Dihydrogen phosphate) DL-myo-inositol	HMDB
1-(Dihydrogen phosphate) myo-inositol	HMDB
DL-Myo-inositol 1-phosphate	HMDB
Myo-inositol 1-monophosphate	HMDB
Myo-inositol-1-phosphate	HMDB
Myoinositol 1-phosphate	HMDB
1D-Myo-inositol 1-phosphoric acid	HMDB
D-myo-Inositol 3-phosphate	ChEBI

Chemical Formula

C₆H₁₃O₉P

Average Molecular Weight

260.1358

Monoisotopic Molecular Weight

260.029718526

IUPAC Name

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

Traditional Name

myo-inositol 1-phosphate

CAS Registry Number

2831-74-5

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-/m0/s1

InChI Key

INAPMGSXUVUWAF-PTQMNWPWSA-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:18169 )

Ontology

Not Available

Endogenous (HMDB: HMDB0006814)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Inositol Metabolism (HMDB: HMDB0006814)
Inositol Phosphate Metabolism (HMDB: HMDB0006814)
Inositol Phosphate Metabolism (PathBank: SMP0002394)
Inositol Metabolism (PathBank: SMP0002397)

Inositol Metabolism (HMDB: HMDB0006814)

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	20.63 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]+	156.46	31661259
DarkChem	[M-H]-	153.87	31661259
DeepCCS	[M+H]+	149.502	30932474
DeepCCS	[M-H]-	147.107	30932474
DeepCCS	[M-2H]-	181.624	30932474
DeepCCS	[M+Na]+	155.97	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
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-phosphate,1TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1OP(=O)(O)O	2123.5	Semi standard non polar	33892256
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-phosphate,2TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1OP(=O)(O)O	2115.1	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,2TMS,isomer #11	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
D-myo-Inositol 3-phosphate,2TMS,isomer #12	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1OP(=O)(O)O[Si](C)(C)C	2195.2	Semi standard non polar	33892256
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-phosphate,2TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	2116.6	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,2TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1OP(=O)(O)O	2116.6	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,2TMS,isomer #4	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[Si](C)(C)C	2111.6	Semi standard non polar	33892256
D-myo-Inositol 3-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
D-myo-Inositol 3-phosphate,2TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H](O)[C@H]1OP(=O)(O)O	2125.0	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,2TMS,isomer #7	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)[C@H]1O	2115.1	Semi standard non polar	33892256
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-phosphate,3TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2100.3	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,3TMS,isomer #10	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[Si](C)(C)C	2166.8	Semi standard non polar	33892256
D-myo-Inositol 3-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
D-myo-Inositol 3-phosphate,3TMS,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)[C@H]1OP(=O)(O)O	2136.1	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,3TMS,isomer #13	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1OP(=O)(O)O	2094.2	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,3TMS,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](O)[C@H]1OP(=O)(O)O[Si](C)(C)C	2165.0	Semi standard non polar	33892256
D-myo-Inositol 3-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
D-myo-Inositol 3-phosphate,3TMS,isomer #16	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)[C@H]1O	2168.5	Semi standard non polar	33892256
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-phosphate,3TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2124.7	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,3TMS,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](O)[C@H]1OP(=O)(O)O[Si](C)(C)C	2168.5	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,3TMS,isomer #21	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
D-myo-Inositol 3-phosphate,3TMS,isomer #22	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2196.4	Semi standard non polar	33892256
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-phosphate,3TMS,isomer #5	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
D-myo-Inositol 3-phosphate,3TMS,isomer #6	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
D-myo-Inositol 3-phosphate,3TMS,isomer #7	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[Si](C)(C)C)[C@H]1O	2164.0	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,3TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2100.3	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,3TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1OP(=O)(O)O[Si](C)(C)C	2164.0	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,4TMS,isomer #1	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
D-myo-Inositol 3-phosphate,4TMS,isomer #10	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
D-myo-Inositol 3-phosphate,4TMS,isomer #11	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[Si](C)(C)C)[C@H]1O	2175.2	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,4TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2164.1	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,4TMS,isomer #13	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2175.2	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,4TMS,isomer #14	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[Si](C)(C)C	2176.3	Semi standard non polar	33892256
D-myo-Inositol 3-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
D-myo-Inositol 3-phosphate,4TMS,isomer #16	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)[C@H]1OP(=O)(O)O[Si](C)(C)C	2219.1	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,4TMS,isomer #17	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C	2166.8	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,4TMS,isomer #18	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H](O)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2144.9	Semi standard non polar	33892256
D-myo-Inositol 3-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
D-myo-Inositol 3-phosphate,4TMS,isomer #2	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[Si](C)(C)C	2177.7	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,4TMS,isomer #20	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)[C@H]1O	2180.2	Semi standard non polar	33892256
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-phosphate,4TMS,isomer #23	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2180.2	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,4TMS,isomer #24	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
D-myo-Inositol 3-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
D-myo-Inositol 3-phosphate,4TMS,isomer #3	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[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2164.1	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,4TMS,isomer #4	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)[C@H]1OP(=O)(O)O	2177.7	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,4TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2211.2	Semi standard non polar	33892256
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-phosphate,4TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1OP(=O)(O)O	2186.2	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,4TMS,isomer #9	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
D-myo-Inositol 3-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
D-myo-Inositol 3-phosphate,5TMS,isomer #10	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
D-myo-Inositol 3-phosphate,5TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[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	2241.4	Semi standard non polar	33892256
D-myo-Inositol 3-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
D-myo-Inositol 3-phosphate,5TMS,isomer #13	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)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2273.2	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,5TMS,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](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
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-phosphate,5TMS,isomer #2	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
D-myo-Inositol 3-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)[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
D-myo-Inositol 3-phosphate,5TMS,isomer #4	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[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2241.4	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,5TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1OP(=O)(O)O[Si](C)(C)C	2244.9	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,5TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2270.4	Semi standard non polar	33892256
D-myo-Inositol 3-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
D-myo-Inositol 3-phosphate,5TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C	2247.4	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,5TMS,isomer #9	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
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-phosphate,6TMS,isomer #2	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
D-myo-Inositol 3-phosphate,6TMS,isomer #2	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
D-myo-Inositol 3-phosphate,6TMS,isomer #2	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
D-myo-Inositol 3-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)[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
D-myo-Inositol 3-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)[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
D-myo-Inositol 3-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)[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
D-myo-Inositol 3-phosphate,6TMS,isomer #4	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)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2278.3	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,6TMS,isomer #4	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)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2334.6	Standard non polar	33892256
D-myo-Inositol 3-phosphate,6TMS,isomer #4	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)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2476.6	Standard polar	33892256
D-myo-Inositol 3-phosphate,6TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[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
D-myo-Inositol 3-phosphate,6TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[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
D-myo-Inositol 3-phosphate,6TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[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
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-phosphate,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1OP(=O)(O)O	2413.1	Semi standard non polar	33892256
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-phosphate,2TBDMS,isomer #10	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)[C@H]1OP(=O)(O)O	2616.0	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,2TBDMS,isomer #11	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
D-myo-Inositol 3-phosphate,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	2662.5	Semi standard non polar	33892256
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-phosphate,2TBDMS,isomer #2	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[Si](C)(C)C(C)(C)C)[C@H]1O	2610.7	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,2TBDMS,isomer #3	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)[C@H]1OP(=O)(O)O	2610.7	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,2TBDMS,isomer #4	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[Si](C)(C)C(C)(C)C	2615.5	Semi standard non polar	33892256
D-myo-Inositol 3-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
D-myo-Inositol 3-phosphate,2TBDMS,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)[C@H](O)[C@H]1OP(=O)(O)O	2616.2	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,2TBDMS,isomer #7	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)[C@H]1O	2616.0	Semi standard non polar	33892256
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-phosphate,3TBDMS,isomer #1	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[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	2754.9	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,3TBDMS,isomer #10	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[Si](C)(C)C(C)(C)C	2810.9	Semi standard non polar	33892256
D-myo-Inositol 3-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
D-myo-Inositol 3-phosphate,3TBDMS,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)[C@H]1OP(=O)(O)O	2773.5	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,3TBDMS,isomer #13	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](O[Si](C)(C)C(C)(C)C)[C@H]1OP(=O)(O)O	2754.8	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,3TBDMS,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](O)[C@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	2807.2	Semi standard non polar	33892256
D-myo-Inositol 3-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
D-myo-Inositol 3-phosphate,3TBDMS,isomer #16	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)[C@H]1O	2815.8	Semi standard non polar	33892256
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-phosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](OP(=O)(O)O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	2760.6	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,3TBDMS,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](O)[C@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	2815.8	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,3TBDMS,isomer #21	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
D-myo-Inositol 3-phosphate,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2820.6	Semi standard non polar	33892256
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-phosphate,3TBDMS,isomer #5	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
D-myo-Inositol 3-phosphate,3TBDMS,isomer #6	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
D-myo-Inositol 3-phosphate,3TBDMS,isomer #7	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[Si](C)(C)C(C)(C)C)[C@H]1O	2810.8	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](OP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	2754.9	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,3TBDMS,isomer #9	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)[C@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	2810.8	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,4TBDMS,isomer #1	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
D-myo-Inositol 3-phosphate,4TBDMS,isomer #10	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
D-myo-Inositol 3-phosphate,4TBDMS,isomer #11	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[Si](C)(C)C(C)(C)C)[C@H]1O	3015.8	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@@H]1[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](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3008.5	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,4TBDMS,isomer #13	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)[C@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3015.8	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,4TBDMS,isomer #14	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[Si](C)(C)C(C)(C)C	3015.5	Semi standard non polar	33892256
D-myo-Inositol 3-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
D-myo-Inositol 3-phosphate,4TBDMS,isomer #16	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)[C@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3035.1	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,4TBDMS,isomer #17	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](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
D-myo-Inositol 3-phosphate,4TBDMS,isomer #18	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](O)[C@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3003.0	Semi standard non polar	33892256
D-myo-Inositol 3-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
D-myo-Inositol 3-phosphate,4TBDMS,isomer #2	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[Si](C)(C)C(C)(C)C	3013.2	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,4TBDMS,isomer #20	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)[C@H]1O	3023.9	Semi standard non polar	33892256
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-phosphate,4TBDMS,isomer #23	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)[C@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3023.9	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,4TBDMS,isomer #24	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
D-myo-Inositol 3-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
D-myo-Inositol 3-phosphate,4TBDMS,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)[C@@H](O)[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
D-myo-Inositol 3-phosphate,4TBDMS,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[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1OP(=O)(O)O	3013.2	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3024.7	Semi standard non polar	33892256
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-phosphate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OP(=O)(O)O	3014.0	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,4TBDMS,isomer #9	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
D-myo-Inositol 3-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
D-myo-Inositol 3-phosphate,5TBDMS,isomer #10	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
D-myo-Inositol 3-phosphate,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@@H]1[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](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3230.6	Semi standard non polar	33892256
D-myo-Inositol 3-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
D-myo-Inositol 3-phosphate,5TBDMS,isomer #13	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)[C@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3252.9	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,5TBDMS,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](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
D-myo-Inositol 3-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
D-myo-Inositol 3-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
D-myo-Inositol 3-phosphate,5TBDMS,isomer #2	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
D-myo-Inositol 3-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)[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	3260.6	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,5TBDMS,isomer #4	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[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3230.6	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3260.6	Semi standard non polar	33892256
D-myo-Inositol 3-phosphate,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3247.6	Semi standard non polar	33892256
D-myo-Inositol 3-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
D-myo-Inositol 3-phosphate,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[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
D-myo-Inositol 3-phosphate,5TBDMS,isomer #9	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

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - D-myo-Inositol 3-phosphate GC-MS (7 TMS)	splash10-014i-1559000000-8a2b9550f104f28e0f7d	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - D-myo-Inositol 3-phosphate GC-MS (7 TMS)	splash10-014i-0149000000-db7a2abef248fd1db09b	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - D-myo-Inositol 3-phosphate GC-MS (Non-derivatized)	splash10-014i-1559000000-8a2b9550f104f28e0f7d	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - D-myo-Inositol 3-phosphate GC-MS (Non-derivatized)	splash10-014i-0149000000-db7a2abef248fd1db09b	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-myo-Inositol 3-phosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-0005-9650000000-12db07845ff78aa5511d	2016-09-22	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-myo-Inositol 3-phosphate GC-MS (5 TMS) - 70eV, Positive	splash10-0a4i-2601259000-2775d0992be57f9b2782	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-myo-Inositol 3-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
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 3-phosphate 10V, Positive-QTOF	splash10-03di-2390000000-872b3b8044fff0ad80a9	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 3-phosphate 20V, Positive-QTOF	splash10-03dl-2290000000-122539b694f8b31100a9	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 3-phosphate 40V, Positive-QTOF	splash10-0002-9700000000-bed069cf85feb1dc4ab8	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 3-phosphate 10V, Negative-QTOF	splash10-0a4i-4190000000-ea44c00eea91f419e692	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 3-phosphate 20V, Negative-QTOF	splash10-004i-9220000000-d6c08f18832b9de73a53	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 3-phosphate 40V, Negative-QTOF	splash10-004i-9000000000-3c92a73868c327380526	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 3-phosphate 10V, Negative-QTOF	splash10-0a4i-0090000000-05d6010bb4bbf2b0c228	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 3-phosphate 20V, Negative-QTOF	splash10-0a6s-9280000000-69bd06f4ab8866ad9db1	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 3-phosphate 40V, Negative-QTOF	splash10-004j-9000000000-f3e6675946c65f8f8f07	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 3-phosphate 10V, Positive-QTOF	splash10-03di-0090000000-89fa9427c518aa95bbd0	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 3-phosphate 20V, Positive-QTOF	splash10-03di-0190000000-fa4c1ecfe995d290a153	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 3-phosphate 40V, Positive-QTOF	splash10-0002-9100000000-fc4055901243469636ad	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Name	SMPDB/PathBank	KEGG
Inositol phosphate metabolism	Not Available
Inositol Phosphate Metabolism

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

FDB021907

KNApSAcK ID

Not Available

Chemspider ID

17215924

KEGG Compound ID

C04006

BioCyc ID

1-L-MYO-INOSITOL-1-P

BiGG ID

Not Available

Wikipedia Link

Inositol phosphate

METLIN ID

5223

PubChem Compound

440194

PDB ID

Not Available

ChEBI ID

18169

Food Biomarker Ontology

Not Available

VMH ID

MI3P_D

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

Enzymes

Enzyme Details

1. 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

Enzyme Details

2. 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

Enzyme Details

3. Type II inositol 3,4-bisphosphate 4-phosphatase

General function:: Involved in phosphatidyl-inositol-4,5-bisphosphate 4-ph
Specific function:: Catalyzes the hydrolysis of the 4-position phosphate of phosphatidylinositol 3,4-bisphosphate, inositol 1,3,4-trisphosphate and inositol 1,4-bisphosphate.
Gene Name:: INPP4B
Uniprot ID:: O15327
Molecular weight:: 104737.105

Enzyme Details

4. 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

5. Type I inositol 3,4-bisphosphate 4-phosphatase

General function:: Involved in phosphatidyl-inositol-4,5-bisphosphate 4-ph
Specific function:: Catalyzes the hydrolysis of the 4-position phosphate of phosphatidylinositol 3,4-bisphosphate, inositol 1,3,4-trisphosphate and inositol 3,4-bisphosphate.
Gene Name:: INPP4A
Uniprot ID:: Q96PE3
Molecular weight:: 109954.68

Showing metabocard for D-myo-Inositol 3-phosphate (HMDB0006814)

MOL for HMDB0006814 (D-myo-Inositol 3-phosphate)

3D MOL for HMDB0006814 (D-myo-Inositol 3-phosphate)

3D SDF for HMDB0006814 (D-myo-Inositol 3-phosphate)

3D-SDF for HMDB0006814 (D-myo-Inositol 3-phosphate)

PDB for HMDB0006814 (D-myo-Inositol 3-phosphate)

3D PDB for HMDB0006814 (D-myo-Inositol 3-phosphate)

SMILES for HMDB0006814 (D-myo-Inositol 3-phosphate)

INCHI for HMDB0006814 (D-myo-Inositol 3-phosphate)

Structure for HMDB0006814 (D-myo-Inositol 3-phosphate)

3D Structure for HMDB0006814 (D-myo-Inositol 3-phosphate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes