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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (6) Show 6 proteins XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2021-09-16 15:27:12 UTC

HMDB ID

HMDB0000968

Secondary Accession Numbers

HMDB0062568
HMDB00968
HMDB62568

Metabolite Identification

Common Name

D-myo-Inositol 1,4-bisphosphate

Description

D-myo-Inositol 1,4-bisphosphate 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 1,4-bisphosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). D-myo-Inositol 1,4-bisphosphate is a substrate for several proteins including inositol polyphosphate 1-phosphatase, phosphatidylinositol 4,5-bisphosphate 5-phosphatase A, skeletal muscle and kidney enriched inositol phosphatase, and type I inositol-1,4,5-trisphosphate 5-phosphatase.

Structure

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

HMDB0000968
     RDKit          3D
D-myo-Inositol 1,4-bisphosphate
 34 34  0  0  0  0  0  0  0  0999 V2000
    3.7404   -1.5648    0.6526 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7900   -0.0862    0.3853 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.3154    0.2220   -1.2095 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8151    0.6525    1.5005 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2113    0.5113    0.4915 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3550   -0.4999    0.0734 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5583   -0.0928   -1.1483 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2722   -1.1636   -1.4723 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3134    1.0969   -0.7815 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9649    1.5444   -1.9093 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3201    0.5961    0.2322 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0139   -0.4567   -0.3812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6465   -0.1292   -0.5392 P   0  0  0  0  0  5  0  0  0  0  0  0
   -4.1945   -0.9697   -1.6721 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9404    1.5203   -0.8171 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4197   -0.6291    0.8875 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6471    0.0940    1.4715 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1292    1.2109    2.1551 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4689   -0.8617    1.2251 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0534   -2.1847    1.0909 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8458   -0.5269   -1.5711 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7342    0.3989    1.2899 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9075   -1.4313   -0.2209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2304    0.1205   -1.9756 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2675   -1.9839   -1.4973 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3240    1.9018   -0.3673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2876    1.8448   -2.5819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9861    1.4301    0.4892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1279    1.9096    0.0882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3705   -0.8828    0.7107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4183   -0.4142    2.0896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8271    1.9390    2.1049 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1227   -0.8485    2.1463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8608   -2.2670    0.7605 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
 12 13  1  0
 13 14  2  0
 13 15  1  0
 13 16  1  0
 11 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19  6  1  0
  3 21  1  0
  4 22  1  0
  6 23  1  6
  7 24  1  6
  8 25  1  0
  9 26  1  1
 10 27  1  0
 11 28  1  1
 15 29  1  0
 16 30  1  0
 17 31  1  1
 18 32  1  0
 19 33  1  1
 20 34  1  0
M  END


  Mrv1652311071919382D          

 20 20  0  0  0  0            999 V2000
 9998.231410000.2066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2304 9998.5569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.084710000.2049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.0857 9998.5587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9431 9999.7941    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.9430 9998.9691    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9999.6576 9998.5566    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10000.3720 9998.9691    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.3721 9999.7941    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9999.657510000.2067    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9999.657610001.0289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.372310001.4410    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
 9999.960310002.1534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.087110001.0289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.784310002.1534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6575 9997.7330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9428 9997.3209    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
 9999.3548 9996.6085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2280 9997.7330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.5308 9996.6085    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
  5  1  1  1  0  0  0
  6  2  1  6  0  0  0
  8  4  1  6  0  0  0
  9  3  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 10 11  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
  7 16  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0000968

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C6H14O12P2/c7-1-2(8)6(18-20(14,15)16)4(10)3(9)5(1)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3-,4+,5+,6+/m1/s1

> <INCHI_KEY>
PELZSPZCXGTUMR-RTPHHQFDSA-N

> <FORMULA>
C6H14O12P2

> <MOLECULAR_WEIGHT>
340.1157

> <EXACT_MASS>
339.996048936

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
34

> <JCHEM_AVERAGE_POLARIZABILITY>
25.09971267523206

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-1.33

> <JCHEM_LOGP>
-4.029141714666666

> <ALOGPS_LOGS>
-1.14

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-4

> <JCHEM_PKA>
1.4635394895369545

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.8613145099702861

> <JCHEM_PKA_STRONGEST_BASIC>
-3.667896845422092

> <JCHEM_POLAR_SURFACE_AREA>
214.43999999999997

> <JCHEM_REFRACTIVITY>
57.520799999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.44e+01 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0000968
     RDKit          3D
D-myo-Inositol 1,4-bisphosphate
 34 34  0  0  0  0  0  0  0  0999 V2000
    3.7404   -1.5648    0.6526 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7900   -0.0862    0.3853 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.3154    0.2220   -1.2095 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8151    0.6525    1.5005 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2113    0.5113    0.4915 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3550   -0.4999    0.0734 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5583   -0.0928   -1.1483 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2722   -1.1636   -1.4723 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3134    1.0969   -0.7815 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9649    1.5444   -1.9093 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3201    0.5961    0.2322 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0139   -0.4567   -0.3812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6465   -0.1292   -0.5392 P   0  0  0  0  0  5  0  0  0  0  0  0
   -4.1945   -0.9697   -1.6721 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9404    1.5203   -0.8171 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4197   -0.6291    0.8875 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6471    0.0940    1.4715 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1292    1.2109    2.1551 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4689   -0.8617    1.2251 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0534   -2.1847    1.0909 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8458   -0.5269   -1.5711 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7342    0.3989    1.2899 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9075   -1.4313   -0.2209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2304    0.1205   -1.9756 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2675   -1.9839   -1.4973 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3240    1.9018   -0.3673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2876    1.8448   -2.5819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9861    1.4301    0.4892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1279    1.9096    0.0882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3705   -0.8828    0.7107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4183   -0.4142    2.0896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8271    1.9390    2.1049 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1227   -0.8485    2.1463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8608   -2.2670    0.7605 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
 12 13  1  0
 13 14  2  0
 13 15  1  0
 13 16  1  0
 11 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19  6  1  0
  3 21  1  0
  4 22  1  0
  6 23  1  6
  7 24  1  6
  8 25  1  0
  9 26  1  1
 10 27  1  0
 11 28  1  1
 15 29  1  0
 16 30  1  0
 17 31  1  1
 18 32  1  0
 19 33  1  1
 20 34  1  0
M  END

HEADER    PROTEIN                                 07-NOV-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-NOV-19         0                                  
HETATM    1  O   UNK     0    8663.3658667.052   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0    8663.3638663.973   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0    8668.6918667.049   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0    8668.6938663.976   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0    8664.6948666.282   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    8664.6948664.742   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8666.0288663.972   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8667.3618664.742   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8667.3618666.282   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8666.0278667.053   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0    8666.0288668.587   0.000  0.00  0.00           O+0
HETATM   12  P   UNK     0    8667.3628669.357   0.000  0.00  0.00           P+0
HETATM   13  O   UNK     0    8666.5938670.686   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0    8668.6968668.587   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0    8668.1318670.686   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0    8666.0278662.435   0.000  0.00  0.00           O+0
HETATM   17  P   UNK     0    8664.6938661.666   0.000  0.00  0.00           P+0
HETATM   18  O   UNK     0    8665.4628660.336   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0    8663.3598662.435   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0    8663.9248660.336   0.000  0.00  0.00           O+0
CONECT    1    5                                                            
CONECT    2    6                                                            
CONECT    3    9                                                            
CONECT    4    8                                                            
CONECT    5    6   10    1                                                  
CONECT    6    5    7    2                                                  
CONECT    7    6    8   16                                                  
CONECT    8    7    9    4                                                  
CONECT    9    8   10    3                                                  
CONECT   10    5    9   11                                                  
CONECT   11   12   10                                                       
CONECT   12   11   13   14   15                                             
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15   12                                                            
CONECT   16   17    7                                                       
CONECT   17   16   18   19   20                                             
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   17                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   40    0
END

COMPND    HMDB0000968
HETATM    1  O1  UNL     1       3.740  -1.565   0.653  1.00  0.00           O  
HETATM    2  P1  UNL     1       3.790  -0.086   0.385  1.00  0.00           P  
HETATM    3  O2  UNL     1       4.315   0.222  -1.210  1.00  0.00           O  
HETATM    4  O3  UNL     1       4.815   0.653   1.501  1.00  0.00           O  
HETATM    5  O4  UNL     1       2.211   0.511   0.492  1.00  0.00           O  
HETATM    6  C1  UNL     1       1.355  -0.500   0.073  1.00  0.00           C  
HETATM    7  C2  UNL     1       0.558  -0.093  -1.148  1.00  0.00           C  
HETATM    8  O5  UNL     1      -0.272  -1.164  -1.472  1.00  0.00           O  
HETATM    9  C3  UNL     1      -0.313   1.097  -0.782  1.00  0.00           C  
HETATM   10  O6  UNL     1      -0.965   1.544  -1.909  1.00  0.00           O  
HETATM   11  C4  UNL     1      -1.320   0.596   0.232  1.00  0.00           C  
HETATM   12  O7  UNL     1      -2.014  -0.457  -0.381  1.00  0.00           O  
HETATM   13  P2  UNL     1      -3.647  -0.129  -0.539  1.00  0.00           P  
HETATM   14  O8  UNL     1      -4.194  -0.970  -1.672  1.00  0.00           O  
HETATM   15  O9  UNL     1      -3.940   1.520  -0.817  1.00  0.00           O  
HETATM   16  O10 UNL     1      -4.420  -0.629   0.888  1.00  0.00           O  
HETATM   17  C5  UNL     1      -0.647   0.094   1.471  1.00  0.00           C  
HETATM   18  O11 UNL     1      -0.129   1.211   2.155  1.00  0.00           O  
HETATM   19  C6  UNL     1       0.469  -0.862   1.225  1.00  0.00           C  
HETATM   20  O12 UNL     1       0.053  -2.185   1.091  1.00  0.00           O  
HETATM   21  H1  UNL     1       4.846  -0.527  -1.571  1.00  0.00           H  
HETATM   22  H2  UNL     1       5.734   0.399   1.290  1.00  0.00           H  
HETATM   23  H3  UNL     1       1.907  -1.431  -0.221  1.00  0.00           H  
HETATM   24  H4  UNL     1       1.230   0.120  -1.976  1.00  0.00           H  
HETATM   25  H5  UNL     1       0.268  -1.984  -1.497  1.00  0.00           H  
HETATM   26  H6  UNL     1       0.324   1.902  -0.367  1.00  0.00           H  
HETATM   27  H7  UNL     1      -0.288   1.845  -2.582  1.00  0.00           H  
HETATM   28  H8  UNL     1      -1.986   1.430   0.489  1.00  0.00           H  
HETATM   29  H9  UNL     1      -4.128   1.910   0.088  1.00  0.00           H  
HETATM   30  H10 UNL     1      -5.370  -0.883   0.711  1.00  0.00           H  
HETATM   31  H11 UNL     1      -1.418  -0.414   2.090  1.00  0.00           H  
HETATM   32  H12 UNL     1      -0.827   1.939   2.105  1.00  0.00           H  
HETATM   33  H13 UNL     1       1.123  -0.849   2.146  1.00  0.00           H  
HETATM   34  H14 UNL     1      -0.861  -2.267   0.760  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4    5
CONECT    3   21
CONECT    4   22
CONECT    5    6
CONECT    6    7   19   23
CONECT    7    8    9   24
CONECT    8   25
CONECT    9   10   11   26
CONECT   10   27
CONECT   11   12   17   28
CONECT   12   13
CONECT   13   14   14   15   16
CONECT   15   29
CONECT   16   30
CONECT   17   18   19   31
CONECT   18   32
CONECT   19   20   33
CONECT   20   34
END

HMDB0000968
     RDKit          3D
D-myo-Inositol 1,4-bisphosphate
 34 34  0  0  0  0  0  0  0  0999 V2000
    3.7404   -1.5648    0.6526 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7900   -0.0862    0.3853 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.3154    0.2220   -1.2095 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8151    0.6525    1.5005 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2113    0.5113    0.4915 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3550   -0.4999    0.0734 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5583   -0.0928   -1.1483 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2722   -1.1636   -1.4723 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3134    1.0969   -0.7815 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9649    1.5444   -1.9093 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3201    0.5961    0.2322 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0139   -0.4567   -0.3812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6465   -0.1292   -0.5392 P   0  0  0  0  0  5  0  0  0  0  0  0
   -4.1945   -0.9697   -1.6721 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9404    1.5203   -0.8171 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4197   -0.6291    0.8875 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6471    0.0940    1.4715 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1292    1.2109    2.1551 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4689   -0.8617    1.2251 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0534   -2.1847    1.0909 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8458   -0.5269   -1.5711 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7342    0.3989    1.2899 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9075   -1.4313   -0.2209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2304    0.1205   -1.9756 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2675   -1.9839   -1.4973 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3240    1.9018   -0.3673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2876    1.8448   -2.5819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9861    1.4301    0.4892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1279    1.9096    0.0882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3705   -0.8828    0.7107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4183   -0.4142    2.0896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8271    1.9390    2.1049 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1227   -0.8485    2.1463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8608   -2.2670    0.7605 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
 12 13  1  0
 13 14  2  0
 13 15  1  0
 13 16  1  0
 11 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19  6  1  0
  3 21  1  0
  4 22  1  0
  6 23  1  6
  7 24  1  6
  8 25  1  0
  9 26  1  1
 10 27  1  0
 11 28  1  1
 15 29  1  0
 16 30  1  0
 17 31  1  1
 18 32  1  0
 19 33  1  1
 20 34  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
D-MYO-inositol-1,4-bisphosphATE	ChEBI
Inositol 1,4-bisphosphate	ChEBI
Myo-inositol 1,4-bisphosphate	ChEBI
D-MYO-inositol-1,4-bisphosphoric acid	Generator
Inositol 1,4-bisphosphoric acid	Generator
Myo-inositol 1,4-bisphosphoric acid	Generator
D-Myo-inositol 1,4-bisphosphoric acid	Generator
1D-Myo-inositol 1,4-bisphosphoric acid	HMDB
D-myo-Inositol 1,4-bisphosphate	ChEBI

Chemical Formula

C₆H₁₄O₁₂P₂

Average Molecular Weight

340.1157

Monoisotopic Molecular Weight

339.996048936

IUPAC Name

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

Traditional Name

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

CAS Registry Number

74465-19-3

SMILES

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

InChI Identifier

InChI=1S/C6H14O12P2/c7-1-2(8)6(18-20(14,15)16)4(10)3(9)5(1)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3-,4+,5+,6+/m1/s1

InChI Key

PELZSPZCXGTUMR-RTPHHQFDSA-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 bisphosphate (CHEBI:17816 )

Ontology

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	24.4 g/L	ALOGPS
logP	-1.3	ALOGPS
logP	-4	ChemAxon
logS	-1.1	ALOGPS
pKa (Strongest Acidic)	0.86	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-4	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	214.44 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	57.52 m³·mol⁻¹	ChemAxon
Polarizability	25.1 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	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]+	173.768	31661259
DarkChem	[M-H]-	167.579	31661259
AllCCS	[M+H]+	170.76	32859911
AllCCS	[M-H]-	158.55	32859911
DeepCCS	[M+H]+	155.735	30932474
DeepCCS	[M-H]-	153.339	30932474
DeepCCS	[M-2H]-	186.467	30932474
DeepCCS	[M+Na]+	161.776	30932474
AllCCS	[M+H]+	170.8	32859911
AllCCS	[M+H-H2O]+	167.9	32859911
AllCCS	[M+NH4]+	173.4	32859911
AllCCS	[M+Na]+	174.2	32859911
AllCCS	[M-H]-	158.5	32859911
AllCCS	[M+Na-2H]-	158.5	32859911
AllCCS	[M+HCOO]-	158.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
D-myo-Inositol 1,4-bisphosphate	O[C@H]1[C@@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1OP(O)(O)=O	2989.0	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate	O[C@H]1[C@@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1OP(O)(O)=O	2384.5	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate	O[C@H]1[C@@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1OP(O)(O)=O	2916.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
D-myo-Inositol 1,4-bisphosphate,1TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O)[C@@H]1O	2500.0	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,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]1OP(=O)(O)O	2500.0	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,1TMS,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)[C@H]1OP(=O)(O)O	2500.0	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,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](OP(=O)(O)O)[C@@H]1O	2500.0	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,1TMS,isomer #5	C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@H]1O	2594.0	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,1TMS,isomer #6	C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@H]1O	2594.0	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,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[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2482.3	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,2TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2497.3	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,2TMS,isomer #11	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]1OP(=O)(O)O	2546.1	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,2TMS,isomer #12	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]1OP(=O)(O)O[Si](C)(C)C	2544.6	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,2TMS,isomer #13	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](OP(=O)(O)O)[C@@H]1O	2544.6	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,2TMS,isomer #14	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O	2546.1	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,2TMS,isomer #15	C[Si](C)(C)OP(=O)(O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@H]1O)O[Si](C)(C)C	2621.6	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,2TMS,isomer #16	C[Si](C)(C)OP(=O)(O)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	2650.2	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,2TMS,isomer #17	C[Si](C)(C)OP(=O)(O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@H]1O)O[Si](C)(C)C	2621.6	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,2TMS,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](OP(=O)(O)O)[C@@H]1O	2469.8	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,2TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2497.3	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,2TMS,isomer #4	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](OP(=O)(O)O)[C@@H]1O	2544.6	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,2TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O	2546.1	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,2TMS,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](OP(=O)(O)O)[C@H]1O	2469.8	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,2TMS,isomer #7	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]1OP(=O)(O)O	2482.3	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,2TMS,isomer #8	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]1OP(=O)(O)O	2546.1	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,2TMS,isomer #9	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]1OP(=O)(O)O[Si](C)(C)C	2544.6	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TMS,isomer #1	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](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2475.5	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TMS,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)[C@H](OP(=O)(O)O)[C@@H]1O	2556.0	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TMS,isomer #11	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O	2598.3	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	2552.9	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TMS,isomer #13	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]1OP(=O)(O)O	2475.5	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,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[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@H]1O	2515.6	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TMS,isomer #15	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](OP(=O)(O)O[Si](C)(C)C)[C@H]1O	2515.6	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,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)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2522.5	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TMS,isomer #17	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]1OP(=O)(O)O[Si](C)(C)C	2523.6	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,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]1OP(=O)(O)O	2552.9	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TMS,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)[C@@H](O)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2598.3	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TMS,isomer #2	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]1OP(=O)(O)O	2475.5	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TMS,isomer #20	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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2556.0	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,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)[C@@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2511.8	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TMS,isomer #22	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2511.8	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TMS,isomer #23	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]1OP(=O)(O)O	2552.9	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TMS,isomer #24	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]1OP(=O)(O)O[Si](C)(C)C	2598.3	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TMS,isomer #25	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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2556.0	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TMS,isomer #26	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](OP(=O)(O)O)[C@@H]1O	2556.0	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TMS,isomer #27	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O	2598.3	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TMS,isomer #28	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	2552.9	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TMS,isomer #29	C[Si](C)(C)OP(=O)(O)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	2657.3	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TMS,isomer #3	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]1OP(=O)(O)O	2522.5	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TMS,isomer #30	C[Si](C)(C)OP(=O)(O)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	2657.3	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TMS,isomer #4	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]1OP(=O)(O)O[Si](C)(C)C	2523.6	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,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](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2475.5	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TMS,isomer #6	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](OP(=O)(O)O)[C@@H]1O	2515.6	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TMS,isomer #7	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O	2515.6	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TMS,isomer #8	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](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2511.8	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TMS,isomer #9	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2511.8	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2505.9	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TMS,isomer #10	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2532.8	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,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[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@@H]1O	2544.2	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TMS,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[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O	2566.9	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TMS,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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	2544.2	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TMS,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)[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2517.9	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TMS,isomer #15	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2553.4	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TMS,isomer #16	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2517.9	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TMS,isomer #17	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O	2567.5	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TMS,isomer #18	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	2563.3	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,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]1OP(=O)(O)O	2530.8	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TMS,isomer #2	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](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2532.8	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TMS,isomer #20	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]1OP(=O)(O)O[Si](C)(C)C	2532.8	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TMS,isomer #21	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](OP(=O)(O)O)[C@H]1O	2544.2	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TMS,isomer #22	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](OP(=O)(O)O[Si](C)(C)C)[C@H]1O	2566.9	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TMS,isomer #23	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	2544.2	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TMS,isomer #24	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]1OP(=O)(O)O	2554.6	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TMS,isomer #25	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]1OP(=O)(O)O[Si](C)(C)C	2579.8	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TMS,isomer #26	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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2561.9	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TMS,isomer #27	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]1OP(=O)(O)O[Si](C)(C)C	2563.3	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TMS,isomer #28	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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2567.5	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TMS,isomer #29	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](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2517.9	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TMS,isomer #3	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2530.8	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TMS,isomer #30	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2553.4	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TMS,isomer #31	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2517.9	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TMS,isomer #32	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]1OP(=O)(O)O[Si](C)(C)C	2563.3	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TMS,isomer #33	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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2567.5	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TMS,isomer #34	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O	2567.5	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TMS,isomer #35	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	2563.3	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TMS,isomer #36	C[Si](C)(C)OP(=O)(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)O[Si](C)(C)C	2570.3	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TMS,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[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2530.8	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TMS,isomer #5	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]1OP(=O)(O)O[Si](C)(C)C	2532.8	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TMS,isomer #6	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]1OP(=O)(O)O	2554.6	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TMS,isomer #7	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]1OP(=O)(O)O[Si](C)(C)C	2579.8	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TMS,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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2561.9	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,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](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2530.8	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #1	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[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2545.1	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #1	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[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2608.5	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #1	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[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	3502.3	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #10	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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2626.0	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #10	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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2661.8	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #10	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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3300.1	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,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[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2556.5	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,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[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2651.8	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,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[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	3390.9	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,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[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2594.4	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,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[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2627.6	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,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[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3409.8	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2556.3	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2652.9	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3389.2	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O	2603.6	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O	2666.1	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O	3295.9	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #15	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	2603.6	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #15	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	2666.1	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #15	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	3295.9	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #16	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2573.1	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #16	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2659.5	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #16	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3353.7	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,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)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2573.1	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,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)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2659.5	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,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)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3353.7	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	2600.7	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	2691.6	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	3236.2	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #19	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]1OP(=O)(O)O	2556.5	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #19	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]1OP(=O)(O)O	2651.8	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #19	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]1OP(=O)(O)O	3390.9	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,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[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2545.1	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,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[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2608.5	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,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[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3502.3	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #20	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]1OP(=O)(O)O[Si](C)(C)C	2594.4	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #20	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]1OP(=O)(O)O[Si](C)(C)C	2627.6	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #20	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]1OP(=O)(O)O[Si](C)(C)C	3409.8	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #21	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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2556.3	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #21	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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2652.9	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #21	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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3389.2	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,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[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O	2603.6	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,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[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O	2666.1	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,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[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O	3295.9	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,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[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	2603.6	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,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[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	2666.1	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,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[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	3295.9	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #24	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]1OP(=O)(O)O[Si](C)(C)C	2620.0	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #24	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]1OP(=O)(O)O[Si](C)(C)C	2660.5	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #24	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]1OP(=O)(O)O[Si](C)(C)C	3302.0	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #25	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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2626.0	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #25	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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2661.8	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #25	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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3300.1	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #26	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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2600.7	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #26	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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2691.6	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #26	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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3236.2	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #27	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2573.1	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #27	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2659.5	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #27	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3353.7	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #28	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2573.1	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #28	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2659.5	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #28	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3353.7	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #29	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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2600.7	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #29	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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2691.6	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #29	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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3236.2	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,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](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2556.3	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,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](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2652.9	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,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](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	3389.2	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #30	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	2600.7	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #30	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	2691.6	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #30	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	3236.2	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #4	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2594.4	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #4	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2627.6	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #4	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3409.8	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #5	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2556.5	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #5	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2651.8	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #5	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3390.9	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #6	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]1OP(=O)(O)O	2556.5	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #6	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]1OP(=O)(O)O	2651.8	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #6	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]1OP(=O)(O)O	3390.9	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #7	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]1OP(=O)(O)O[Si](C)(C)C	2594.4	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #7	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]1OP(=O)(O)O[Si](C)(C)C	2627.6	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #7	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]1OP(=O)(O)O[Si](C)(C)C	3409.8	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #8	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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2556.3	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #8	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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2652.9	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #8	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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3389.2	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #9	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]1OP(=O)(O)O[Si](C)(C)C	2620.0	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #9	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]1OP(=O)(O)O[Si](C)(C)C	2660.5	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,5TMS,isomer #9	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]1OP(=O)(O)O[Si](C)(C)C	3302.0	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,isomer #1	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[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2581.3	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,isomer #1	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[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2648.3	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,isomer #1	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[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	3272.4	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2614.0	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2658.9	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3199.7	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,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[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	2636.3	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,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[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	2689.4	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,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[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	3106.8	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,isomer #12	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2624.7	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,isomer #12	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2678.5	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,isomer #12	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3156.8	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2612.3	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2658.2	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	3201.7	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,isomer #14	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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2614.0	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,isomer #14	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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2658.9	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,isomer #14	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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3199.7	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,isomer #15	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	2636.3	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,isomer #15	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	2689.4	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,isomer #15	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	3106.8	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,isomer #16	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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2649.3	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,isomer #16	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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2680.3	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,isomer #16	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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3108.6	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,isomer #17	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2624.7	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,isomer #17	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2678.5	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,isomer #17	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3156.8	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,isomer #2	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[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2598.1	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,isomer #2	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[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2631.2	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,isomer #2	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[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3293.8	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[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[Si](C)(C)C	2581.3	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[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[Si](C)(C)C	2648.3	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[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[Si](C)(C)C	3272.4	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,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[Si](C)(C)C)[C@@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2614.0	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,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[Si](C)(C)C)[C@@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2658.9	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,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[Si](C)(C)C)[C@@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3199.7	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,isomer #5	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2612.3	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,isomer #5	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2658.2	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,isomer #5	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3201.7	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,isomer #6	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]1OP(=O)(O)O[Si](C)(C)C	2612.3	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,isomer #6	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]1OP(=O)(O)O[Si](C)(C)C	2658.2	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,isomer #6	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]1OP(=O)(O)O[Si](C)(C)C	3201.7	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,isomer #7	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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2614.0	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,isomer #7	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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2658.9	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,isomer #7	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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3199.7	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,isomer #8	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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2649.3	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,isomer #8	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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2680.3	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,isomer #8	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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3108.6	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2612.3	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2658.2	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,6TMS,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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3201.7	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,7TMS,isomer #1	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[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2642.2	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,7TMS,isomer #1	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[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2690.5	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,7TMS,isomer #1	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[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3112.1	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,7TMS,isomer #2	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[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2642.1	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,7TMS,isomer #2	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[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2690.5	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,7TMS,isomer #2	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[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3112.1	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,7TMS,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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2657.0	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,7TMS,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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2695.1	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,7TMS,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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3035.1	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,7TMS,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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2657.0	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,7TMS,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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2695.1	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,7TMS,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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3035.1	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,7TMS,isomer #5	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2657.0	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,7TMS,isomer #5	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2695.1	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,7TMS,isomer #5	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3035.1	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,7TMS,isomer #6	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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2657.0	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,7TMS,isomer #6	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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2695.1	Standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,7TMS,isomer #6	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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3035.1	Standard polar	33892256
D-myo-Inositol 1,4-bisphosphate,1TBDMS,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](OP(=O)(O)O)[C@@H]1O	2772.3	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,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]1OP(=O)(O)O	2772.3	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,1TBDMS,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)[C@H]1OP(=O)(O)O	2772.3	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,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](OP(=O)(O)O)[C@@H]1O	2772.3	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@H]1O	2858.8	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@H]1O	2858.8	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,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[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O)O	2889.2	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C(C)(C)C	2891.2	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,2TBDMS,isomer #11	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]1OP(=O)(O)O	2975.6	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,2TBDMS,isomer #12	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]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	2978.1	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,2TBDMS,isomer #13	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](OP(=O)(O)O)[C@@H]1O	2978.1	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O	2975.6	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OP(=O)(O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C	3056.9	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OP(=O)(O)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	3114.6	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OP(=O)(O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C	3056.9	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,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[Si](C)(C)C(C)(C)C)[C@H](OP(=O)(O)O)[C@@H]1O	2887.5	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,2TBDMS,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](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C(C)(C)C	2891.2	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,2TBDMS,isomer #4	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](OP(=O)(O)O)[C@@H]1O	2978.1	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O	2975.6	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,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[Si](C)(C)C(C)(C)C)[C@H](OP(=O)(O)O)[C@H]1O	2887.5	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,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)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O)O	2889.2	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,2TBDMS,isomer #8	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]1OP(=O)(O)O	2975.6	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,2TBDMS,isomer #9	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]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	2978.1	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TBDMS,isomer #1	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](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C(C)(C)C	3042.2	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TBDMS,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)[C@H](OP(=O)(O)O)[C@@H]1O	3097.7	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TBDMS,isomer #11	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](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O	3147.5	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)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	3092.4	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TBDMS,isomer #13	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]1OP(=O)(O)O	3042.2	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,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[Si](C)(C)C(C)(C)C)[C@H](OP(=O)(O)O)[C@H]1O	3074.2	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TBDMS,isomer #15	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](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O	3074.2	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,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)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O)O	3082.8	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TBDMS,isomer #17	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]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3085.3	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,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]1OP(=O)(O)O	3092.4	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TBDMS,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)[C@@H](O)[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3147.5	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TBDMS,isomer #2	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]1OP(=O)(O)O	3042.2	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TBDMS,isomer #20	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]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3097.7	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,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)[C@@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C(C)(C)C	3075.6	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3075.6	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TBDMS,isomer #23	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]1OP(=O)(O)O	3092.4	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TBDMS,isomer #24	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]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3147.5	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TBDMS,isomer #25	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]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3097.7	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TBDMS,isomer #26	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](OP(=O)(O)O)[C@@H]1O	3097.7	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TBDMS,isomer #27	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](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O	3147.5	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)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	3092.4	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OP(=O)(O)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	3196.0	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TBDMS,isomer #3	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]1OP(=O)(O)O	3082.8	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OP(=O)(O)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	3196.0	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TBDMS,isomer #4	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]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3085.3	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,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](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C(C)(C)C	3042.2	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TBDMS,isomer #6	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](OP(=O)(O)O)[C@@H]1O	3074.2	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TBDMS,isomer #7	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](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O	3074.2	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TBDMS,isomer #8	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](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C(C)(C)C	3075.6	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3075.6	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TBDMS,isomer #1	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[Si](C)(C)C(C)(C)C)[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C(C)(C)C	3283.9	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TBDMS,isomer #10	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](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3305.5	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,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[Si](C)(C)C(C)(C)C)[C@H](OP(=O)(O)O)[C@@H]1O	3280.4	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TBDMS,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[Si](C)(C)C(C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O	3324.2	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TBDMS,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](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O	3280.4	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TBDMS,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)[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C(C)(C)C	3272.7	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TBDMS,isomer #15	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](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3305.9	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)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[Si](C)(C)C(C)(C)C	3272.7	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TBDMS,isomer #17	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](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O	3298.1	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TBDMS,isomer #18	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](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O	3295.4	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,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]1OP(=O)(O)O	3305.8	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TBDMS,isomer #2	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](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C(C)(C)C	3305.5	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TBDMS,isomer #20	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]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3305.5	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TBDMS,isomer #21	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](OP(=O)(O)O)[C@H]1O	3280.4	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TBDMS,isomer #22	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](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O	3324.2	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TBDMS,isomer #23	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](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O	3280.4	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TBDMS,isomer #24	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]1OP(=O)(O)O	3294.2	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TBDMS,isomer #25	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]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3334.7	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TBDMS,isomer #26	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]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3299.5	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TBDMS,isomer #27	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]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3295.4	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TBDMS,isomer #28	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]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3298.1	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TBDMS,isomer #29	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](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C(C)(C)C	3272.7	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TBDMS,isomer #3	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](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3305.8	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TBDMS,isomer #30	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](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3305.9	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)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[Si](C)(C)C(C)(C)C	3272.7	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TBDMS,isomer #32	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]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3295.4	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TBDMS,isomer #33	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]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3298.1	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TBDMS,isomer #34	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](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O	3298.1	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TBDMS,isomer #35	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](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O	3295.4	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OP(=O)(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)O[Si](C)(C)C(C)(C)C	3309.7	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TBDMS,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[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O)O	3305.8	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TBDMS,isomer #5	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]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3305.5	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TBDMS,isomer #6	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]1OP(=O)(O)O	3294.2	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TBDMS,isomer #7	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]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3334.7	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,4TBDMS,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]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3299.5	Semi standard non polar	33892256
D-myo-Inositol 1,4-bisphosphate,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](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C(C)(C)C	3305.8	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 - D-myo-Inositol 1,4-bisphosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-9321000000-9f623a36e7cbbf411892	2016-09-22	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-myo-Inositol 1,4-bisphosphate GC-MS (4 TMS) - 70eV, Positive	splash10-03dj-9163026000-1848e4d3af73c15a6fe2	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-myo-Inositol 1,4-bisphosphate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-myo-Inositol 1,4-bisphosphate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-myo-Inositol 1,4-bisphosphate GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-myo-Inositol 1,4-bisphosphate GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-myo-Inositol 1,4-bisphosphate GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-myo-Inositol 1,4-bisphosphate GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-myo-Inositol 1,4-bisphosphate GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-myo-Inositol 1,4-bisphosphate GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-myo-Inositol 1,4-bisphosphate GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-myo-Inositol 1,4-bisphosphate GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-myo-Inositol 1,4-bisphosphate GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-myo-Inositol 1,4-bisphosphate GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-myo-Inositol 1,4-bisphosphate GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-myo-Inositol 1,4-bisphosphate GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-myo-Inositol 1,4-bisphosphate GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-myo-Inositol 1,4-bisphosphate GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-myo-Inositol 1,4-bisphosphate GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-myo-Inositol 1,4-bisphosphate GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-myo-Inositol 1,4-bisphosphate GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-myo-Inositol 1,4-bisphosphate GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-myo-Inositol 1,4-bisphosphate GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-myo-Inositol 1,4-bisphosphate GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-myo-Inositol 1,4-bisphosphate GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-11-06	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 1,4-bisphosphate 10V, Positive-QTOF	splash10-0006-2039000000-30867310a54aeefc9f07	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 1,4-bisphosphate 20V, Positive-QTOF	splash10-0006-2029000000-09a80b30252576945f03	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 1,4-bisphosphate 40V, Positive-QTOF	splash10-0005-8920000000-da85c9dd4243595988cc	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 1,4-bisphosphate 10V, Negative-QTOF	splash10-000i-4009000000-0bfc6eac93cb1d6f5150	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 1,4-bisphosphate 20V, Negative-QTOF	splash10-004i-9012000000-52b4d66a2cc414f3c15f	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 1,4-bisphosphate 40V, Negative-QTOF	splash10-004i-9000000000-188d2aa04460c53bd120	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 1,4-bisphosphate 10V, Negative-QTOF	splash10-000i-0009000000-409ec2d369e3f269fc61	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 1,4-bisphosphate 20V, Negative-QTOF	splash10-004r-9008000000-6a58e24bfb6d7b7533d3	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 1,4-bisphosphate 40V, Negative-QTOF	splash10-004i-9000000000-f53a8156649b945c2aee	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 1,4-bisphosphate 10V, Positive-QTOF	splash10-0006-0009000000-0c0a6b1789da56429e47	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 1,4-bisphosphate 20V, Positive-QTOF	splash10-0006-0029000000-7b521123b7ad2af2e51c	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 1,4-bisphosphate 40V, Positive-QTOF	splash10-0002-9100000000-1e618537818490a76e76	2021-09-23	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)	2022-08-22	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	2022-08-22	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	2022-08-22	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	2022-08-22	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)	2022-08-22	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	2022-08-22	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)	2022-08-22	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	2022-08-22	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)	2022-08-22	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	2022-08-22	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)	2022-08-22	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	2022-08-22	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)	2022-08-22	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	2022-08-22	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)	2022-08-22	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	2022-08-22	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)	2022-08-22	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	2022-08-22	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)	2022-08-22	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	2022-08-22	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Nucleus

Biospecimen Locations

Not Available

Tissue Locations

Placenta

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

DB03158

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

INOSITOL-1-4-BISPHOSPHATE

BiGG ID

37109

Wikipedia Link

Not Available

METLIN ID

5911

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

17816

Food Biomarker Ontology

Not Available

VMH ID

MI14P

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Auchus, Richard J.; Kaiser, Susan L.; Majerus, Philip W. Synthesis of inositol 1,2-(cyclic)-4,5-trisphosphate. Proceedings of the National Academy of Sciences of the United States of America (1987), 84(5), 1206-9.

Material Safety Data Sheet (MSDS)

Not Available

General References

Spiegelberg BD, Xiong JP, Smith JJ, Gu RF, York JD: Cloning and characterization of a mammalian lithium-sensitive bisphosphate 3'-nucleotidase inhibited by inositol 1,4-bisphosphate. J Biol Chem. 1999 May 7;274(19):13619-28. [PubMed:10224133 ]
Eberhard M, Erne P: Inositol 1,4,5-trisphosphate-induced calcium release in permeabilized platelets is coupled to hydrolysis of inositol 1,4,5-trisphosphate to inositol 1,4-bisphosphate. Biochem Biophys Res Commun. 1993 Aug 31;195(1):19-24. [PubMed:8363599 ]
Eberhard M, Erne P: Regulation of inositol 1,4,5-trisphosphate-induced calcium release by inositol 1,4,5-trisphosphate and calcium in human platelets. J Recept Signal Transduct Res. 1995 Jan-Mar;15(1-4):297-309. [PubMed:8903946 ]
Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]

Enzymes

Enzyme Details

1. Type I inositol 1,4,5-trisphosphate 5-phosphatase

General function:: Involved in inositol or phosphatidylinositol phosphatase activity
Specific function:: Major isoenzyme hydrolyzing the calcium-mobilizing second messenger Ins(1,4,5)P3, this is a signal-terminating reaction.
Gene Name:: INPP5A
Uniprot ID:: Q14642
Molecular weight:: 47819.155

Reactions

myo-Inositol 1,4,5-trisphosphate + Water → D-myo-Inositol 1,4-bisphosphate + Phosphate	details
myo-Inositol 1,4,5-trisphosphate + Water → D-myo-Inositol 1,4-bisphosphate + Phosphate	details

Enzyme Details

2. Inositol polyphosphate 1-phosphatase

General function:: Involved in inositol or phosphatidylinositol phosphatase activity
Specific function:: Not Available
Gene Name:: INPP1
Uniprot ID:: P49441
Molecular weight:: 43997.62

Reactions

D-myo-Inositol 1,4-bisphosphate + Water → D-myo-Inositol 4-phosphate + Phosphate	details

Enzyme Details

3. Phosphatidylinositol 4,5-bisphosphate 5-phosphatase A

General function:: Involved in inositol or phosphatidylinositol phosphatase activity
Specific function:: Inositol 5-phosphatase, which converts inositol 1,4,5-trisphosphate to inositol 1,4-bisphosphate. Also converts phosphatidylinositol 4,5-bisphosphate to phosphatidylinositol 4-phosphate and inositol 1,3,4,5-tetrakisphosphate to inositol 1,3,4-trisphosphate in vitro. May be involved in modulation of the function of inositol and phosphatidylinositol polyphosphate-binding proteins that are present at membranes ruffles (By similarity).
Gene Name:: INPP5J
Uniprot ID:: Q15735
Molecular weight:: 70238.575

Reactions

myo-Inositol 1,4,5-trisphosphate + Water → D-myo-Inositol 1,4-bisphosphate + Phosphate	details
myo-Inositol 1,4,5-trisphosphate + Water → D-myo-Inositol 1,4-bisphosphate + Phosphate	details

Enzyme Details

4. Inositol polyphosphate 5-phosphatase K

General function:: Involved in inositol or phosphatidylinositol phosphatase activity
Specific function:: Inositol 5-phosphatase which acts on inositol 1,4,5-trisphosphate, inositol 1,3,4,5-tetrakisphosphate, phosphatidylinositol 4,5-bisphosphate and phosphatidylinositol 3,4,5-trisphosphate. Has 6-fold higher affinity for phosphatidylinositol 4,5-bisphosphate than for inositol 1,4,5-trisphosphate. May negatively regulate assembly of the actin cytoskeleton.
Gene Name:: INPP5K
Uniprot ID:: Q9BT40
Molecular weight:: 42783.425

Reactions

myo-Inositol 1,4,5-trisphosphate + Water → D-myo-Inositol 1,4-bisphosphate + Phosphate	details
myo-Inositol 1,4,5-trisphosphate + Water → D-myo-Inositol 1,4-bisphosphate + Phosphate	details

Enzyme Details

5. Glycophorin-B

General function:: Not Available
Specific function:: This protein is a minor sialoglycoprotein in erythrocyte membranes
Gene Name:: GYPB
Uniprot ID:: P06028
Molecular weight:: 9795.6

Enzyme Details

6. Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2

General function:: Involved in inositol or phosphatidylinositol phosphatase activity
Specific function:: Phosphatidylinositol (PtdIns) phosphatase that specifically hydrolyzes the 5-phosphate of phosphatidylinositol-3,4,5-trisphosphate (PtdIns(3,4,5)P3) to produce PtdIns(3,4)P2, thereby negatively regulating the PI3K (phosphoinositide 3-kinase) pathways. Plays a central role in regulation of PI3K-dependent insulin signaling, although the precise molecular mechanisms and signaling pathways remain unclear. While overexpression reduces both insulin-stimulated MAP kinase and Akt activation, its absence does not affect insulin signaling or GLUT4 trafficking. Confers resistance to dietary obesity. May act by regulating AKT2, but not AKT1, phosphorylation at the plasma membrane. Part of a signaling pathway that regulates actin cytoskeleton remodeling. Required for the maintenance and dynamic remodeling of actin structures as well as in endocytosis, having a major impact on ligand-induced EGFR internalization and degradation. Participates in regulation of cortical and submembraneous actin by hydrolyzing PtdIns(3,4,5)P3 thereby regulating membrane ruffling. Regulates cell adhesion and cell spreading. Required for HGF-mediated lamellipodium formation, cell scattering and spreading. Acts as a negative regulator of EPHA2 receptor endocytosis by inhibiting via PI3K-dependent Rac1 activation. Acts as a regulator of neuritogenesis by regulating PtdIns(3,4,5)P3 level and is required to form an initial protrusive pattern, and later, maintain proper neurite outgrowth. Acts as a negative regulator of the FC-gamma-RIIA receptor (FCGR2A). Mediates signaling from the FC-gamma-RIIB receptor (FCGR2B), playing a central role in terminating signal transduction from activating immune/hematopoietic cell receptor systems. Involved in EGF signaling pathway. Upon stimulation by EGF, it is recruited by EGFR and dephosphorylates PtdIns(3,4,5)P3. Plays a negative role in regulating the PI3K-PKB pathway, possibly by inhibiting PKB activity. Down-regulates Fc-gamma-R-mediated phagocytosis in macrophages independently of INPP5D/SHIP1. In macrophages, down-regulates NF-kappa-B-dependent gene transcription by regulating macrophage colony-stimulating factor (M-CSF)-induced signaling. May also hydrolyze PtdIns(1,3,4,5)P4, and could thus affect the levels of the higher inositol polyphosphates like InsP6.
Gene Name:: INPPL1
Uniprot ID:: O15357
Molecular weight:: 138597.495

Showing metabocard for D-myo-Inositol 1,4-bisphosphate (HMDB0000968)

MOL for HMDB0000968 (D-myo-Inositol 1,4-bisphosphate)

3D MOL for HMDB0000968 (D-myo-Inositol 1,4-bisphosphate)

3D SDF for HMDB0000968 (D-myo-Inositol 1,4-bisphosphate)

3D-SDF for HMDB0000968 (D-myo-Inositol 1,4-bisphosphate)

PDB for HMDB0000968 (D-myo-Inositol 1,4-bisphosphate)

3D PDB for HMDB0000968 (D-myo-Inositol 1,4-bisphosphate)

SMILES for HMDB0000968 (D-myo-Inositol 1,4-bisphosphate)

INCHI for HMDB0000968 (D-myo-Inositol 1,4-bisphosphate)

Structure for HMDB0000968 (D-myo-Inositol 1,4-bisphosphate)

3D Structure for HMDB0000968 (D-myo-Inositol 1,4-bisphosphate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions

Reactions

Reactions

Reactions