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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (3) Show 3 proteins XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2007-05-22 18:41:52 UTC

Update Date

2021-09-14 15:39:06 UTC

HMDB ID

HMDB0006235

Secondary Accession Numbers

HMDB06235

Metabolite Identification

Common Name

D-myo-Inositol 3,4-bisphosphate

Description

D-myo-Inositol 3,4-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 3,4-bisphosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). In humans, D-myo-inositol 3,4-bisphosphate participates in a number of enzymatic reactions. In particular, D-myo-inositol 3,4-bisphosphate can be biosynthesized from inositol 1,3,4-trisphosphate through the action of the enzyme inositol polyphosphate 1-phosphatase. D-myo-Inositol 3,4-bisphosphate is an intermediate in inositol phosphate metabolism. D-myo-Inositol 3,4-bisphosphate is converted from D-myo-inositol-3-phosphate via inositol polyphosphate-4-phosphatase (EC 3.1.3.66).

Structure

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

HMDB0006235
     RDKit          3D
D-myo-Inositol 3,4-bisphosphate
 34 34  0  0  0  0  0  0  0  0999 V2000
   -3.1075    2.0450   -0.0053 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9710    1.9194   -0.9829 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.9252    3.2232   -0.7676 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5506    1.8988   -2.5840 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1517    0.4718   -0.7365 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5602    0.4029    0.5240 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2387   -0.7637    1.2504 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4942   -0.3673    1.7175 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3408   -1.8920    0.2578 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2483   -1.5341   -0.7617 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0158   -2.1154   -0.3465 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2481   -3.4901   -0.4338 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1238   -1.4531    0.4776 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3097   -1.7142   -0.2093 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9091    0.0522    0.4072 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7004    0.7459    1.2788 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8222    1.7580    0.5649 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.0088    2.0390    1.4186 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0537    3.2288    0.2257 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3800    1.1507   -0.9194 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3168    3.3263   -1.5639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5033    2.1984   -2.6209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7311    1.3015    1.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6329   -1.0960    2.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1732   -1.0762    1.6032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7087   -2.8183    0.7527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2440   -2.2409   -1.4528 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0340   -1.6814   -1.3669 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9028   -3.7697    0.2332 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1616   -1.8388    1.4936 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2236   -2.5429   -0.7463 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2163    0.3415   -0.6219 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5141    3.5571    0.9851 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2741    0.7335   -0.7877 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 17 20  1  0
 15  6  1  0
  3 21  1  0
  4 22  1  0
  6 23  1  1
  7 24  1  1
  8 25  1  0
  9 26  1  1
 10 27  1  0
 11 28  1  6
 12 29  1  0
 13 30  1  1
 14 31  1  0
 15 32  1  6
 19 33  1  0
 20 34  1  0
M  END


  Mrv1652309042000312D          

 20 20  0  0  0  0            999 V2000
 9999.687810000.5389    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9999.6878 9999.7139    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.4025 9999.3014    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10001.1169 9999.7139    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10001.117010000.5389    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.402410000.9516    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10000.4024 9998.4775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6876 9998.0654    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10000.0997 9997.3531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9728 9998.4775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.2756 9997.3531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.976110000.9515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9749 9999.3012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.402010001.7726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.828110000.9491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.8328 9999.3044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.8323 9998.4774    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10002.6574 9998.4780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.1160 9998.0633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.2442 9997.7626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  3  7  1  1  0  0  0
  2 13  1  6  0  0  0
  1 12  1  1  0  0  0
  6 14  1  6  0  0  0
  5 15  1  6  0  0  0
 17 20  1  0  0  0  0
 17 19  1  0  0  0  0
 17 18  2  0  0  0  0
 16 17  1  0  0  0  0
  4 16  1  6  0  0  0
M  END
> <DATABASE_ID>
HMDB0006235

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C6H14O12P2/c7-1-2(8)4(10)6(18-20(14,15)16)5(3(1)9)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3-,4+,5-,6-/m0/s1

> <INCHI_KEY>
MCKAJXMRULSUKI-CNWJWELYSA-N

> <FORMULA>
C6H14O12P2

> <MOLECULAR_WEIGHT>
340.1157

> <EXACT_MASS>
339.996048936

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
34

> <JCHEM_AVERAGE_POLARIZABILITY>
25.03042167028287

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-1.31

> <JCHEM_LOGP>
-4.029141714666666

> <ALOGPS_LOGS>
-1.16

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-4

> <JCHEM_PKA>
1.290193047050951

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.6564929747342663

> <JCHEM_PKA_STRONGEST_BASIC>
-3.646813811123052

> <JCHEM_POLAR_SURFACE_AREA>
214.43999999999997

> <JCHEM_REFRACTIVITY>
57.520799999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.37e+01 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0006235
     RDKit          3D
D-myo-Inositol 3,4-bisphosphate
 34 34  0  0  0  0  0  0  0  0999 V2000
   -3.1075    2.0450   -0.0053 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9710    1.9194   -0.9829 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.9252    3.2232   -0.7676 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5506    1.8988   -2.5840 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1517    0.4718   -0.7365 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5602    0.4029    0.5240 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2387   -0.7637    1.2504 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4942   -0.3673    1.7175 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3408   -1.8920    0.2578 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2483   -1.5341   -0.7617 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0158   -2.1154   -0.3465 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2481   -3.4901   -0.4338 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1238   -1.4531    0.4776 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3097   -1.7142   -0.2093 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9091    0.0522    0.4072 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7004    0.7459    1.2788 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8222    1.7580    0.5649 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.0088    2.0390    1.4186 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0537    3.2288    0.2257 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3800    1.1507   -0.9194 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3168    3.3263   -1.5639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5033    2.1984   -2.6209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7311    1.3015    1.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6329   -1.0960    2.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1732   -1.0762    1.6032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7087   -2.8183    0.7527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2440   -2.2409   -1.4528 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0340   -1.6814   -1.3669 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9028   -3.7697    0.2332 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1616   -1.8388    1.4936 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2236   -2.5429   -0.7463 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2163    0.3415   -0.6219 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5141    3.5571    0.9851 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2741    0.7335   -0.7877 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 17 20  1  0
 15  6  1  0
  3 21  1  0
  4 22  1  0
  6 23  1  1
  7 24  1  1
  8 25  1  0
  9 26  1  1
 10 27  1  0
 11 28  1  6
 12 29  1  0
 13 30  1  1
 14 31  1  0
 15 32  1  6
 19 33  1  0
 20 34  1  0
M  END

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  C   UNK     0    8666.0848667.673   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8666.0848666.133   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8667.4188665.363   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8668.7528666.133   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    8668.7528667.673   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    8667.4188668.443   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0    8667.4188663.825   0.000  0.00  0.00           O+0
HETATM    8  P   UNK     0    8666.0848663.055   0.000  0.00  0.00           P+0
HETATM    9  O   UNK     0    8666.8538661.726   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0    8664.7498663.825   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0    8665.3148661.726   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0    8664.7558668.443   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0    8664.7538665.362   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0    8667.4178669.976   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0    8670.0798668.438   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0    8670.0888665.368   0.000  0.00  0.00           O+0
HETATM   17  P   UNK     0    8670.0878663.824   0.000  0.00  0.00           P+0
HETATM   18  O   UNK     0    8671.6278663.826   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0    8668.7508663.051   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0    8670.8568662.490   0.000  0.00  0.00           O+0
CONECT    1    2    6   12                                                  
CONECT    2    1    3   13                                                  
CONECT    3    2    4    7                                                  
CONECT    4    3    5   16                                                  
CONECT    5    4    6   15                                                  
CONECT    6    1    5   14                                                  
CONECT    7    8    3                                                       
CONECT    8    7    9   10   11                                             
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    8                                                            
CONECT   12    1                                                            
CONECT   13    2                                                            
CONECT   14    6                                                            
CONECT   15    5                                                            
CONECT   16   17    4                                                       
CONECT   17   20   19   18   16                                             
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   17                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   40    0
END

COMPND    HMDB0006235
HETATM    1  O1  UNL     1      -3.107   2.045  -0.005  1.00  0.00           O  
HETATM    2  P1  UNL     1      -1.971   1.919  -0.983  1.00  0.00           P  
HETATM    3  O2  UNL     1      -0.925   3.223  -0.768  1.00  0.00           O  
HETATM    4  O3  UNL     1      -2.551   1.899  -2.584  1.00  0.00           O  
HETATM    5  O4  UNL     1      -1.152   0.472  -0.737  1.00  0.00           O  
HETATM    6  C1  UNL     1      -0.560   0.403   0.524  1.00  0.00           C  
HETATM    7  C2  UNL     1      -1.239  -0.764   1.250  1.00  0.00           C  
HETATM    8  O5  UNL     1      -2.494  -0.367   1.718  1.00  0.00           O  
HETATM    9  C3  UNL     1      -1.341  -1.892   0.258  1.00  0.00           C  
HETATM   10  O6  UNL     1      -2.248  -1.534  -0.762  1.00  0.00           O  
HETATM   11  C4  UNL     1       0.016  -2.115  -0.346  1.00  0.00           C  
HETATM   12  O7  UNL     1       0.248  -3.490  -0.434  1.00  0.00           O  
HETATM   13  C5  UNL     1       1.124  -1.453   0.478  1.00  0.00           C  
HETATM   14  O8  UNL     1       2.310  -1.714  -0.209  1.00  0.00           O  
HETATM   15  C6  UNL     1       0.909   0.052   0.407  1.00  0.00           C  
HETATM   16  O9  UNL     1       1.700   0.746   1.279  1.00  0.00           O  
HETATM   17  P2  UNL     1       2.822   1.758   0.565  1.00  0.00           P  
HETATM   18  O10 UNL     1       4.009   2.039   1.419  1.00  0.00           O  
HETATM   19  O11 UNL     1       2.054   3.229   0.226  1.00  0.00           O  
HETATM   20  O12 UNL     1       3.380   1.151  -0.919  1.00  0.00           O  
HETATM   21  H1  UNL     1      -0.317   3.326  -1.564  1.00  0.00           H  
HETATM   22  H2  UNL     1      -3.503   2.198  -2.621  1.00  0.00           H  
HETATM   23  H3  UNL     1      -0.731   1.301   1.134  1.00  0.00           H  
HETATM   24  H4  UNL     1      -0.633  -1.096   2.117  1.00  0.00           H  
HETATM   25  H5  UNL     1      -3.173  -1.076   1.603  1.00  0.00           H  
HETATM   26  H6  UNL     1      -1.709  -2.818   0.753  1.00  0.00           H  
HETATM   27  H7  UNL     1      -2.244  -2.241  -1.453  1.00  0.00           H  
HETATM   28  H8  UNL     1       0.034  -1.681  -1.367  1.00  0.00           H  
HETATM   29  H9  UNL     1       0.903  -3.770   0.233  1.00  0.00           H  
HETATM   30  H10 UNL     1       1.162  -1.839   1.494  1.00  0.00           H  
HETATM   31  H11 UNL     1       2.224  -2.543  -0.746  1.00  0.00           H  
HETATM   32  H12 UNL     1       1.216   0.342  -0.622  1.00  0.00           H  
HETATM   33  H13 UNL     1       1.514   3.557   0.985  1.00  0.00           H  
HETATM   34  H14 UNL     1       4.274   0.734  -0.788  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   15   23
CONECT    7    8    9   24
CONECT    8   25
CONECT    9   10   11   26
CONECT   10   27
CONECT   11   12   13   28
CONECT   12   29
CONECT   13   14   15   30
CONECT   14   31
CONECT   15   16   32
CONECT   16   17
CONECT   17   18   18   19   20
CONECT   19   33
CONECT   20   34
END

HMDB0006235
     RDKit          3D
D-myo-Inositol 3,4-bisphosphate
 34 34  0  0  0  0  0  0  0  0999 V2000
   -3.1075    2.0450   -0.0053 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9710    1.9194   -0.9829 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.9252    3.2232   -0.7676 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5506    1.8988   -2.5840 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1517    0.4718   -0.7365 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5602    0.4029    0.5240 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2387   -0.7637    1.2504 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4942   -0.3673    1.7175 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3408   -1.8920    0.2578 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2483   -1.5341   -0.7617 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0158   -2.1154   -0.3465 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2481   -3.4901   -0.4338 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1238   -1.4531    0.4776 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3097   -1.7142   -0.2093 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9091    0.0522    0.4072 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7004    0.7459    1.2788 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8222    1.7580    0.5649 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.0088    2.0390    1.4186 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0537    3.2288    0.2257 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3800    1.1507   -0.9194 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3168    3.3263   -1.5639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5033    2.1984   -2.6209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7311    1.3015    1.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6329   -1.0960    2.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1732   -1.0762    1.6032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7087   -2.8183    0.7527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2440   -2.2409   -1.4528 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0340   -1.6814   -1.3669 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9028   -3.7697    0.2332 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1616   -1.8388    1.4936 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2236   -2.5429   -0.7463 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2163    0.3415   -0.6219 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5141    3.5571    0.9851 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2741    0.7335   -0.7877 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 17 20  1  0
 15  6  1  0
  3 21  1  0
  4 22  1  0
  6 23  1  1
  7 24  1  1
  8 25  1  0
  9 26  1  1
 10 27  1  0
 11 28  1  6
 12 29  1  0
 13 30  1  1
 14 31  1  0
 15 32  1  6
 19 33  1  0
 20 34  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Inositol 3,4-bisphosphate	ChEBI
1D-Myo-inositol 3,4-bisphosphate	Kegg
Inositol 3,4-bisphosphoric acid	Generator
1D-Myo-inositol 3,4-bisphosphoric acid	Generator
D-Myo-inositol 3,4-bisphosphoric acid	Generator
Myo-inositol 1,2-bisphosphate	MeSH
Inositol 1,2-bisphosphate	MeSH
Inositol 3,4-diphosphate	MeSH
D-myo-Inositol 3,4-bisphosphate	ChEBI
1D-myo-Inositol 3,4-bis(dihydrogen phosphate)	HMDB
1D-myo-Inositol 3,4-diphosphate	HMDB
D-myo-Inositol 3,4-diphosphate	HMDB
Ins(3,4)P2	HMDB

Chemical Formula

C₆H₁₄O₁₂P₂

Average Molecular Weight

340.1157

Monoisotopic Molecular Weight

339.996048936

IUPAC Name

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

Traditional Name

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

CAS Registry Number

69256-53-7

SMILES

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

InChI Identifier

InChI=1S/C6H14O12P2/c7-1-2(8)4(10)6(18-20(14,15)16)5(3(1)9)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3-,4+,5-,6-/m0/s1

InChI Key

MCKAJXMRULSUKI-CNWJWELYSA-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:28858 )

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	23.7 g/L	ALOGPS
logP	-1.3	ALOGPS
logP	-4	ChemAxon
logS	-1.2	ALOGPS
pKa (Strongest Acidic)	0.66	ChemAxon
pKa (Strongest Basic)	-3.6	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	25.03 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]+	172.662	31661259
DarkChem	[M-H]-	169.2	31661259
DeepCCS	[M+H]+	159.33	30932474
DeepCCS	[M-H]-	157.072	30932474
DeepCCS	[M-2H]-	190.946	30932474
DeepCCS	[M+Na]+	165.284	30932474
AllCCS	[M+H]+	170.8	32859911
AllCCS	[M+H-H2O]+	167.9	32859911
AllCCS	[M+NH4]+	173.6	32859911
AllCCS	[M+Na]+	174.3	32859911
AllCCS	[M-H]-	156.7	32859911
AllCCS	[M+Na-2H]-	156.6	32859911
AllCCS	[M+HCOO]-	156.6	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022.	1.58 minutes	32390414
Predicted by Siyang on May 30, 2022	10.2654 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	9.59 minutes	32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid	591.1 seconds	40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	448.7 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	340.6 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	7.3 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	211.8 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	111.9 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	330.4 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	242.8 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	1027.1 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	594.7 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	50.6 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	668.8 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	209.0 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	435.4 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	1117.8 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	681.2 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	614.6 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
D-myo-Inositol 3,4-bisphosphate	O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1O	2961.8	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate	O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1O	2373.9	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate	O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1O	2980.4	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
D-myo-Inositol 3,4-bisphosphate,1TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](O)[C@H]1O	2503.9	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,1TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H]1O	2503.9	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,1TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O	2520.6	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,1TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O	2520.6	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,1TMS,isomer #5	C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O	2608.6	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,1TMS,isomer #6	C[Si](C)(C)OP(=O)(O)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OP(=O)(O)O	2608.6	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,2TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2499.0	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,2TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O	2482.5	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,2TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1OP(=O)(O)O	2559.5	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,2TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O[Si](C)(C)C	2559.7	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,2TMS,isomer #13	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1OP(=O)(O)O	2559.5	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,2TMS,isomer #14	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O[Si](C)(C)C	2559.7	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,2TMS,isomer #15	C[Si](C)(C)OP(=O)(O[C@@H]1[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O)O[Si](C)(C)C	2622.2	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,2TMS,isomer #16	C[Si](C)(C)OP(=O)(O)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2646.0	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,2TMS,isomer #17	C[Si](C)(C)OP(=O)(O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OP(=O)(O)O)O[Si](C)(C)C	2622.2	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,2TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@H]1O	2481.2	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,2TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](O)[C@H]1O[Si](C)(C)C	2485.0	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,2TMS,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](OP(=O)(O)O)[C@H](O)[C@H]1O	2559.2	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,2TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H]1O	2559.6	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,2TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O	2481.2	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,2TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2499.0	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,2TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](OP(=O)(O)O)[C@@H]1O	2559.6	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,2TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O	2559.2	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O	2467.4	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TMS,isomer #10	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](OP(=O)(O)O)[C@H](O)[C@H]1O	2574.3	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TMS,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](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H]1O	2611.5	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H]1O	2568.9	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TMS,isomer #13	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O	2467.4	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TMS,isomer #14	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1OP(=O)(O)O	2519.6	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TMS,isomer #15	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O[Si](C)(C)C	2525.0	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TMS,isomer #16	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2512.4	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TMS,isomer #17	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2514.3	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TMS,isomer #18	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](OP(=O)(O)O)[C@@H]1O	2568.9	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TMS,isomer #19	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O	2611.5	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2470.1	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TMS,isomer #20	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	2574.3	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TMS,isomer #21	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1OP(=O)(O)O	2511.4	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TMS,isomer #22	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O[Si](C)(C)C	2511.4	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TMS,isomer #23	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O)O	2565.1	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TMS,isomer #24	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C	2612.4	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TMS,isomer #25	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2572.9	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TMS,isomer #26	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O)O	2565.1	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TMS,isomer #27	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C	2612.4	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TMS,isomer #28	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2572.9	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TMS,isomer #29	C[Si](C)(C)OP(=O)(O)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2664.0	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2514.3	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TMS,isomer #30	C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O	2664.0	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2512.4	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2470.1	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@H]1O	2519.6	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2525.0	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TMS,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](OP(=O)(O)O)[C@H](O)[C@H]1O[Si](C)(C)C	2523.3	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TMS,isomer #9	C[Si](C)(C)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2523.3	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O	2494.6	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2525.9	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@H]1O	2558.0	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2574.8	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2557.7	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TMS,isomer #14	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](OP(=O)(O)O)[C@H](O)[C@H]1O[Si](C)(C)C	2552.8	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TMS,isomer #15	C[Si](C)(C)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2570.2	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TMS,isomer #16	C[Si](C)(C)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2552.8	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TMS,isomer #17	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](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H]1O	2574.1	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TMS,isomer #18	C[Si](C)(C)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H]1O	2573.1	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TMS,isomer #19	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1OP(=O)(O)O	2524.2	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1OP(=O)(O)O	2527.5	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TMS,isomer #20	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O[Si](C)(C)C	2527.5	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TMS,isomer #21	C[Si](C)(C)O[C@H]1[C@@H](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]1OP(=O)(O)O	2558.0	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TMS,isomer #22	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C	2574.8	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TMS,isomer #23	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2557.7	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TMS,isomer #24	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2520.2	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TMS,isomer #25	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2551.7	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TMS,isomer #26	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2522.0	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TMS,isomer #27	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O	2573.1	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TMS,isomer #28	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	2574.1	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TMS,isomer #29	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O)O	2519.1	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O[Si](C)(C)C	2524.2	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TMS,isomer #30	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C	2549.7	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TMS,isomer #31	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2519.1	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TMS,isomer #32	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C	2567.1	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TMS,isomer #33	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2568.5	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TMS,isomer #34	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C	2567.1	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TMS,isomer #35	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2568.5	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TMS,isomer #36	C[Si](C)(C)OP(=O)(O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2587.3	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2525.9	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2523.3	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2522.0	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2551.7	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2520.2	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2523.3	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1OP(=O)(O)O	2534.4	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1OP(=O)(O)O	2607.9	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1OP(=O)(O)O	3506.0	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2578.8	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2663.3	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3354.5	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #11	C[Si](C)(C)O[C@H]1[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](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2554.5	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #11	C[Si](C)(C)O[C@H]1[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](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2646.6	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #11	C[Si](C)(C)O[C@H]1[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](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	3391.1	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #12	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2592.0	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #12	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2624.1	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #12	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3410.1	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #13	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2554.5	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #13	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2649.8	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #13	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3389.6	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #14	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](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2623.7	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #14	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](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2663.2	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #14	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](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3303.2	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #15	C[Si](C)(C)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2623.6	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #15	C[Si](C)(C)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2662.2	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #15	C[Si](C)(C)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3302.5	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,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](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2612.8	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,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](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2667.2	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,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](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3295.3	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #17	C[Si](C)(C)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2612.8	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #17	C[Si](C)(C)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2667.2	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #17	C[Si](C)(C)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3295.3	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H]1O	2613.0	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H]1O	2694.2	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H]1O	3237.1	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #19	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O)O	2553.7	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #19	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O)O	2651.4	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #19	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O)O	3393.2	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O[Si](C)(C)C	2534.4	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O[Si](C)(C)C	2607.9	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O[Si](C)(C)C	3506.0	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #20	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C	2589.1	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #20	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C	2627.5	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #20	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C	3416.3	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #21	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2556.7	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #21	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2652.3	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #21	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3396.3	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #22	C[Si](C)(C)O[C@H]1[C@@H](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]1OP(=O)(O)O[Si](C)(C)C	2623.7	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #22	C[Si](C)(C)O[C@H]1[C@@H](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]1OP(=O)(O)O[Si](C)(C)C	2663.2	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #22	C[Si](C)(C)O[C@H]1[C@@H](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]1OP(=O)(O)O[Si](C)(C)C	3303.2	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #23	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2623.6	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #23	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2662.2	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #23	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3302.5	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #24	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2578.8	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #24	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2663.3	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #24	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3354.5	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #25	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2580.2	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #25	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2662.7	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #25	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3353.5	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #26	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	2613.0	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #26	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	2694.2	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #26	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	3237.1	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #27	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C	2578.5	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #27	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C	2667.7	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #27	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C	3355.0	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #28	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2578.5	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #28	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2667.7	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #28	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3355.0	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #29	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2577.2	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #29	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2693.3	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #29	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3269.7	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O)O	2556.7	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O)O	2652.3	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O)O	3396.3	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #30	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2577.2	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #30	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2693.3	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #30	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3269.7	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C	2589.1	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C	2627.5	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C	3416.3	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2553.7	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2651.4	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3393.2	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2554.5	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2649.8	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3389.6	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2592.0	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2624.1	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3410.1	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2554.5	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2646.6	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3391.1	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #9	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2580.2	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #9	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2662.7	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,5TMS,isomer #9	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3353.5	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O)O	2579.8	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O)O	2645.5	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O)O	3274.2	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)[C@H](OP(=O)(O)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	2616.5	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)[C@H](OP(=O)(O)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	2654.3	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)[C@H](OP(=O)(O)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 3,4-bisphosphate,6TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2652.0	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2683.4	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3109.1	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #12	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2642.6	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #12	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2685.7	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #12	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3106.3	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #13	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C	2614.6	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #13	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C	2657.8	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #13	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C	3200.8	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #14	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2617.5	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #14	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2658.0	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #14	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3202.3	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #15	C[Si](C)(C)O[C@H]1[C@@H](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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2652.0	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #15	C[Si](C)(C)O[C@H]1[C@@H](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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2683.4	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #15	C[Si](C)(C)O[C@H]1[C@@H](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]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3109.1	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #16	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2623.8	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #16	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2683.0	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #16	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3153.9	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #17	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2617.2	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #17	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2692.6	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #17	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3151.4	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C	2594.9	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C	2628.1	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C	3296.1	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2579.8	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2645.5	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3274.2	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C	2617.5	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C	2658.0	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C	3202.3	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2614.6	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2657.8	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3200.8	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2616.5	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2654.3	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3199.7	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2616.4	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2654.0	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3201.4	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2623.8	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2683.0	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3153.9	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #9	C[Si](C)(C)O[C@H]1[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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2616.4	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #9	C[Si](C)(C)O[C@H]1[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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2654.0	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,6TMS,isomer #9	C[Si](C)(C)O[C@H]1[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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3201.4	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,7TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C	2643.6	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,7TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C	2680.0	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,7TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C	3113.2	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,7TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2643.6	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,7TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2680.0	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,7TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3113.2	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,7TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2656.7	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,7TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2696.5	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,7TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3033.3	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,7TMS,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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2661.5	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,7TMS,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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2693.8	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,7TMS,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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3034.8	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,7TMS,isomer #5	C[Si](C)(C)O[C@H]1[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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2661.5	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,7TMS,isomer #5	C[Si](C)(C)O[C@H]1[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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2693.8	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,7TMS,isomer #5	C[Si](C)(C)O[C@H]1[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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3034.8	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,7TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2656.7	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,7TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2696.5	Standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,7TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3033.3	Standard polar	33892256
D-myo-Inositol 3,4-bisphosphate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](O)[C@H]1O	2796.9	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H]1O	2796.9	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O	2788.5	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O	2788.5	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O	2870.7	Semi standard non polar	33892256
D-myo-Inositol 3,4-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](O)[C@@H](O)[C@@H]1OP(=O)(O)O	2870.7	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	2897.0	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O	2887.3	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1OP(=O)(O)O	2989.1	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	2993.1	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1OP(=O)(O)O	2989.1	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	2993.1	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OP(=O)(O[C@@H]1[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C	3057.3	Semi standard non polar	33892256
D-myo-Inositol 3,4-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](O)[C@@H](O)[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3104.8	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OP(=O)(O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3057.3	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	2899.0	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	2904.5	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,2TBDMS,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](OP(=O)(O)O)[C@H](O)[C@H]1O	2993.8	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	2994.4	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O	2899.0	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C(C)(C)C	2897.0	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O)[C@@H]1O	2994.4	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O	2993.8	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O	3034.2	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TBDMS,isomer #10	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](OP(=O)(O)O)[C@H](O)[C@H]1O	3115.4	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TBDMS,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](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3161.1	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)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	3112.3	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O	3034.2	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1OP(=O)(O)O	3085.6	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3085.9	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C(C)(C)C	3073.0	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3076.0	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O)[C@@H]1O	3112.3	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O	3161.1	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3038.9	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O	3115.4	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1OP(=O)(O)O	3065.6	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3065.6	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1OP(=O)(O)O	3105.0	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3154.9	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3106.9	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1OP(=O)(O)O	3105.0	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3154.9	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3106.9	Semi standard non polar	33892256
D-myo-Inositol 3,4-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](O)[C@@H](O)[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3205.5	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3076.0	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O	3205.5	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3073.0	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C(C)(C)C	3038.9	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3085.6	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3085.9	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TBDMS,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](OP(=O)(O)O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3083.0	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3083.0	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O	3273.6	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3298.8	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3300.3	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3340.1	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3296.4	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TBDMS,isomer #14	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](OP(=O)(O)O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3286.3	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TBDMS,isomer #15	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](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3330.2	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3286.3	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TBDMS,isomer #17	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](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3316.4	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TBDMS,isomer #18	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](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3313.7	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1OP(=O)(O)O	3295.7	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1OP(=O)(O)O	3295.2	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3295.2	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1OP(=O)(O)O	3300.3	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3340.1	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3296.4	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C(C)(C)C	3275.7	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3308.0	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O)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	3276.5	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O	3313.7	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O	3316.4	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1OP(=O)(O)O	3275.0	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3295.7	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3305.7	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3275.0	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3302.2	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3302.5	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3302.2	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3302.5	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OP(=O)(O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3327.3	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TBDMS,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](OP(=O)(O)O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3298.8	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3300.8	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TBDMS,isomer #6	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](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3276.5	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3308.0	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3275.7	Semi standard non polar	33892256
D-myo-Inositol 3,4-bisphosphate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C(C)(C)C	3300.8	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 3,4-bisphosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-9332000000-8240ef1e1d222135238a	2016-09-22	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-myo-Inositol 3,4-bisphosphate GC-MS (4 TMS) - 70eV, Positive	splash10-03dj-7623359000-6fa30722f77bc0d30a53	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-myo-Inositol 3,4-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 3,4-bisphosphate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 3,4-bisphosphate 10V, Positive-QTOF	splash10-0006-2029000000-1195e7ce60913971906d	2016-09-14	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 3,4-bisphosphate 20V, Positive-QTOF	splash10-006x-2029000000-c3e0fac36289e655819f	2016-09-14	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 3,4-bisphosphate 40V, Positive-QTOF	splash10-000w-8920000000-3aa518a31c4e7bc4857c	2016-09-14	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 3,4-bisphosphate 10V, Negative-QTOF	splash10-000i-4009000000-40bb88d61d505ce29206	2016-09-14	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 3,4-bisphosphate 20V, Negative-QTOF	splash10-004i-9012000000-a144b2a1549f5a9a9b8a	2016-09-14	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 3,4-bisphosphate 40V, Negative-QTOF	splash10-004i-9000000000-39772b52beaff83371d8	2016-09-14	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 3,4-bisphosphate 10V, Negative-QTOF	splash10-000i-0009000000-409ec2d369e3f269fc61	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 3,4-bisphosphate 20V, Negative-QTOF	splash10-002r-5019000000-a075f0feafe96011f40e	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 3,4-bisphosphate 40V, Negative-QTOF	splash10-004i-9000000000-bf2ab86f786e898fef12	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 3,4-bisphosphate 10V, Positive-QTOF	splash10-0006-0009000000-0c0a6b1789da56429e47	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 3,4-bisphosphate 20V, Positive-QTOF	splash10-0006-0009000000-2bca498d8c364bcc7d7a	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 3,4-bisphosphate 40V, Positive-QTOF	splash10-0002-9200000000-a1cf4bb6ded70dff4186	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

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

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB023852

KNApSAcK ID

Not Available

Chemspider ID

389196

KEGG Compound ID

C04063

BioCyc ID

D-MYO-INOSITOL-34-BISPHOSPHATE

BiGG ID

43066

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

440211

PDB ID

Not Available

ChEBI ID

28858

Food Biomarker Ontology

Not Available

VMH ID

MI34P

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Enzymes

Enzyme Details

1. Inositol 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

Inositol 1,3,4-trisphosphate + Water → D-myo-Inositol 3,4-bisphosphate + Phosphate	details

Enzyme Details

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

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

Reactions

D-myo-Inositol 3,4-bisphosphate + Water → myo-Inositol 1-phosphate + Phosphate	details

Enzyme Details

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

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

Reactions

D-myo-Inositol 3,4-bisphosphate + Water → myo-Inositol 1-phosphate + Phosphate	details

Showing metabocard for D-myo-Inositol 3,4-bisphosphate (HMDB0006235)

MOL for HMDB0006235 (D-myo-Inositol 3,4-bisphosphate)

3D MOL for HMDB0006235 (D-myo-Inositol 3,4-bisphosphate)

3D SDF for HMDB0006235 (D-myo-Inositol 3,4-bisphosphate)

3D-SDF for HMDB0006235 (D-myo-Inositol 3,4-bisphosphate)

PDB for HMDB0006235 (D-myo-Inositol 3,4-bisphosphate)

3D PDB for HMDB0006235 (D-myo-Inositol 3,4-bisphosphate)

SMILES for HMDB0006235 (D-myo-Inositol 3,4-bisphosphate)

INCHI for HMDB0006235 (D-myo-Inositol 3,4-bisphosphate)

Structure for HMDB0006235 (D-myo-Inositol 3,4-bisphosphate)

3D Structure for HMDB0006235 (D-myo-Inositol 3,4-bisphosphate)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions

Reactions

Reactions