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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (4) Show 4 proteins XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2021-09-16 15:27:15 UTC

HMDB ID

HMDB0001313

Secondary Accession Numbers

HMDB01313

Metabolite Identification

Common Name

D-myo-Inositol 4-phosphate

Description

D-myo-Inositol 4-phosphate, also known as inositol 4-phosphoric acid, belongs to the class of organic compounds known as inositol phosphates. Inositol phosphates are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety. D-myo-Inositol 4-phosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). Within humans, D-myo-inositol 4-phosphate participates in a number of enzymatic reactions. In particular, D-myo-inositol 4-phosphate can be biosynthesized from D-myo-inositol 1,4-bisphosphate through its interaction with the enzyme inositol polyphosphate 1-phosphatase. In addition, D-myo-inositol 4-phosphate can be converted into myo-inositol through its interaction with the enzyme inositol monophosphatase 1.

Structure

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

HMDB0001313
     RDKit          3D
D-myo-Inositol 4-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
    3.0281   -0.2073   -1.4472 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1726    0.1865    0.0082 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.9949    1.6662    0.1552 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1657   -0.9821    0.7589 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7258    0.2219    0.8232 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6080    0.1307   -0.0030 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2376    1.3519    0.1357 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3935    2.3899   -0.5765 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6025    1.1816   -0.4731 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4801    0.8219   -1.8150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3041    0.0414    0.2313 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5916   -0.1324   -0.2426 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5181   -1.2097   -0.0355 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1373   -2.2379    0.7128 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0948   -1.1451    0.3820 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6049   -2.1959   -0.2058 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5701    2.1512    0.9043 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1017   -0.9188    0.4456 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9021    0.0491   -1.0827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3651    1.6465    1.2108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3160    3.0998   -0.6787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1738    2.1137   -0.3557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2711    1.1227   -2.3178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3162    0.2310    1.3375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0544   -0.7278    0.4164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6606   -1.5022   -1.0969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5045   -2.9177    1.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0470   -1.2090    1.4993 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4074   -3.0201    0.3025 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15  6  1  0
  3 17  1  0
  4 18  1  0
  6 19  1  6
  7 20  1  1
  8 21  1  0
  9 22  1  6
 10 23  1  0
 11 24  1  1
 12 25  1  0
 13 26  1  6
 14 27  1  0
 15 28  1  1
 16 29  1  0
M  END


  Mrv1652311081916412D          

 16 16  0  0  0  0            999 V2000
 9998.976110000.9515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9752 9999.3017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.829710000.9498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.8307 9999.3035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.687810000.5389    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9999.6878 9999.7139    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.4025 9999.3014    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10001.1169 9999.7139    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10001.117010000.5389    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.402410000.9516    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10000.402510001.7739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.4024 9998.4776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6876 9998.0656    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10000.0996 9997.3532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9727 9998.4776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.2756 9997.3532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5  1  1  1  0  0  0
  6  2  1  6  0  0  0
  8  4  1  6  0  0  0
  9  3  1  6  0  0  0
 10 11  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
  7 12  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0001313

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3-,4+,5-,6-/m0/s1

> <INCHI_KEY>
INAPMGSXUVUWAF-CNWJWELYSA-N

> <FORMULA>
C6H13O9P

> <MOLECULAR_WEIGHT>
260.1358

> <EXACT_MASS>
260.029718526

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
20.563720024288987

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-1.98

> <JCHEM_LOGP>
-3.9055756833333333

> <ALOGPS_LOGS>
-0.82

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.194111788919007

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.1625722061585555

> <JCHEM_PKA_STRONGEST_BASIC>
-3.645813019693807

> <JCHEM_POLAR_SURFACE_AREA>
167.91

> <JCHEM_REFRACTIVITY>
46.64789999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.95e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
myo-inositol 4-phosphate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001313
     RDKit          3D
D-myo-Inositol 4-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
    3.0281   -0.2073   -1.4472 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1726    0.1865    0.0082 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.9949    1.6662    0.1552 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1657   -0.9821    0.7589 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7258    0.2219    0.8232 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6080    0.1307   -0.0030 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2376    1.3519    0.1357 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3935    2.3899   -0.5765 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6025    1.1816   -0.4731 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4801    0.8219   -1.8150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3041    0.0414    0.2313 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5916   -0.1324   -0.2426 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5181   -1.2097   -0.0355 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1373   -2.2379    0.7128 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0948   -1.1451    0.3820 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6049   -2.1959   -0.2058 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5701    2.1512    0.9043 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1017   -0.9188    0.4456 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9021    0.0491   -1.0827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3651    1.6465    1.2108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3160    3.0998   -0.6787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1738    2.1137   -0.3557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2711    1.1227   -2.3178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3162    0.2310    1.3375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0544   -0.7278    0.4164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6606   -1.5022   -1.0969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5045   -2.9177    1.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0470   -1.2090    1.4993 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4074   -3.0201    0.3025 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15  6  1  0
  3 17  1  0
  4 18  1  0
  6 19  1  6
  7 20  1  1
  8 21  1  0
  9 22  1  6
 10 23  1  0
 11 24  1  1
 12 25  1  0
 13 26  1  6
 14 27  1  0
 15 28  1  1
 16 29  1  0
M  END

HEADER    PROTEIN                                 08-NOV-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-NOV-19         0                                  
HETATM    1  O   UNK     0    8664.7558668.443   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0    8664.7548665.363   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0    8670.0828668.440   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0    8670.0848665.367   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0    8666.0848667.673   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    8666.0848666.133   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8667.4188665.363   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8668.7528666.133   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8668.7528667.673   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8667.4188668.443   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0    8667.4188669.978   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0    8667.4188663.825   0.000  0.00  0.00           O+0
HETATM   13  P   UNK     0    8666.0848663.056   0.000  0.00  0.00           P+0
HETATM   14  O   UNK     0    8666.8538661.726   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0    8664.7498663.825   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0    8665.3148661.726   0.000  0.00  0.00           O+0
CONECT    1    5                                                            
CONECT    2    6                                                            
CONECT    3    9                                                            
CONECT    4    8                                                            
CONECT    5    6   10    1                                                  
CONECT    6    5    7    2                                                  
CONECT    7    6    8   12                                                  
CONECT    8    7    9    4                                                  
CONECT    9    8   10    3                                                  
CONECT   10    5    9   11                                                  
CONECT   11   10                                                            
CONECT   12   13    7                                                       
CONECT   13   12   14   15   16                                             
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16   13                                                            
MASTER        0    0    0    0    0    0    0    0   16    0   32    0
END

COMPND    HMDB0001313
HETATM    1  O1  UNL     1       3.028  -0.207  -1.447  1.00  0.00           O  
HETATM    2  P1  UNL     1       3.173   0.186   0.008  1.00  0.00           P  
HETATM    3  O2  UNL     1       3.995   1.666   0.155  1.00  0.00           O  
HETATM    4  O3  UNL     1       4.166  -0.982   0.759  1.00  0.00           O  
HETATM    5  O4  UNL     1       1.726   0.222   0.823  1.00  0.00           O  
HETATM    6  C1  UNL     1       0.608   0.131  -0.003  1.00  0.00           C  
HETATM    7  C2  UNL     1      -0.238   1.352   0.136  1.00  0.00           C  
HETATM    8  O5  UNL     1       0.393   2.390  -0.576  1.00  0.00           O  
HETATM    9  C3  UNL     1      -1.602   1.182  -0.473  1.00  0.00           C  
HETATM   10  O6  UNL     1      -1.480   0.822  -1.815  1.00  0.00           O  
HETATM   11  C4  UNL     1      -2.304   0.041   0.231  1.00  0.00           C  
HETATM   12  O7  UNL     1      -3.592  -0.132  -0.243  1.00  0.00           O  
HETATM   13  C5  UNL     1      -1.518  -1.210  -0.036  1.00  0.00           C  
HETATM   14  O8  UNL     1      -2.137  -2.238   0.713  1.00  0.00           O  
HETATM   15  C6  UNL     1      -0.095  -1.145   0.382  1.00  0.00           C  
HETATM   16  O9  UNL     1       0.605  -2.196  -0.206  1.00  0.00           O  
HETATM   17  H1  UNL     1       3.570   2.151   0.904  1.00  0.00           H  
HETATM   18  H2  UNL     1       5.102  -0.919   0.446  1.00  0.00           H  
HETATM   19  H3  UNL     1       0.902   0.049  -1.083  1.00  0.00           H  
HETATM   20  H4  UNL     1      -0.365   1.646   1.211  1.00  0.00           H  
HETATM   21  H5  UNL     1      -0.316   3.100  -0.679  1.00  0.00           H  
HETATM   22  H6  UNL     1      -2.174   2.114  -0.356  1.00  0.00           H  
HETATM   23  H7  UNL     1      -2.271   1.123  -2.318  1.00  0.00           H  
HETATM   24  H8  UNL     1      -2.316   0.231   1.337  1.00  0.00           H  
HETATM   25  H9  UNL     1      -4.054  -0.728   0.416  1.00  0.00           H  
HETATM   26  H10 UNL     1      -1.661  -1.502  -1.097  1.00  0.00           H  
HETATM   27  H11 UNL     1      -1.505  -2.918   1.007  1.00  0.00           H  
HETATM   28  H12 UNL     1      -0.047  -1.209   1.499  1.00  0.00           H  
HETATM   29  H13 UNL     1       0.407  -3.020   0.303  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4    5
CONECT    3   17
CONECT    4   18
CONECT    5    6
CONECT    6    7   15   19
CONECT    7    8    9   20
CONECT    8   21
CONECT    9   10   11   22
CONECT   10   23
CONECT   11   12   13   24
CONECT   12   25
CONECT   13   14   15   26
CONECT   14   27
CONECT   15   16   28
CONECT   16   29
END

HMDB0001313
     RDKit          3D
D-myo-Inositol 4-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
    3.0281   -0.2073   -1.4472 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1726    0.1865    0.0082 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.9949    1.6662    0.1552 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1657   -0.9821    0.7589 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7258    0.2219    0.8232 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6080    0.1307   -0.0030 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2376    1.3519    0.1357 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3935    2.3899   -0.5765 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6025    1.1816   -0.4731 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4801    0.8219   -1.8150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3041    0.0414    0.2313 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5916   -0.1324   -0.2426 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5181   -1.2097   -0.0355 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1373   -2.2379    0.7128 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0948   -1.1451    0.3820 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6049   -2.1959   -0.2058 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5701    2.1512    0.9043 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1017   -0.9188    0.4456 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9021    0.0491   -1.0827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3651    1.6465    1.2108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3160    3.0998   -0.6787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1738    2.1137   -0.3557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2711    1.1227   -2.3178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3162    0.2310    1.3375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0544   -0.7278    0.4164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6606   -1.5022   -1.0969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5045   -2.9177    1.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0470   -1.2090    1.4993 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4074   -3.0201    0.3025 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15  6  1  0
  3 17  1  0
  4 18  1  0
  6 19  1  6
  7 20  1  1
  8 21  1  0
  9 22  1  6
 10 23  1  0
 11 24  1  1
 12 25  1  0
 13 26  1  6
 14 27  1  0
 15 28  1  1
 16 29  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
1D-Myo-inositol 4-monophosphate	ChEBI
1D-Myo-inositol 4-phosphate	Kegg
Inositol 4-phosphate	Kegg
1D-Myo-inositol 4-monophosphoric acid	Generator
1D-Myo-inositol 4-phosphoric acid	Generator
Inositol 4-phosphoric acid	Generator
D-Myo-inositol 4-phosphoric acid	Generator
D-myo-Inositol-4-phosphate	HMDB
D-Myoinositol 4-phosphate	HMDB
myo-Inositol 4-phosphate	HMDB
D-myo-Inositol 4-monophosphate	HMDB
D-myo-Inositol 4-phosphate	HMDB
Inositol 4-monophosphate	HMDB

Chemical Formula

C₆H₁₃O₉P

Average Molecular Weight

260.1358

Monoisotopic Molecular Weight

260.029718526

IUPAC Name

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

Traditional Name

myo-inositol 4-phosphate

CAS Registry Number

69256-52-6

SMILES

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

InChI Identifier

InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3-,4+,5-,6-/m0/s1

InChI Key

INAPMGSXUVUWAF-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 monophosphate (CHEBI:18384 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Cytoplasm (HMDB: HMDB0001313)

Source

Endogenous

Endogenous (HMDB: HMDB0001313)

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

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

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

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

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

Equine

Horse (FooDB: FOOD00378)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Inositol Phosphate Metabolism (PathBank: SMP0087256)
Inositol Metabolism (HMDB: HMDB0001313)
Inositol Metabolism (PathBank: SMP0002397)
Inositol Metabolism (PathBank: SMP0087242)

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	39.5 g/L	ALOGPS
logP	-2	ALOGPS
logP	-3.9	ChemAxon
logS	-0.82	ALOGPS
pKa (Strongest Acidic)	1.16	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	167.91 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	46.65 m³·mol⁻¹	ChemAxon
Polarizability	20.56 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	157.262	31661259
DarkChem	[M-H]-	152.674	31661259
AllCCS	[M+H]+	157.302	32859911
AllCCS	[M-H]-	145.414	32859911
DeepCCS	[M+H]+	149.407	30932474
DeepCCS	[M-H]-	147.011	30932474
DeepCCS	[M-2H]-	181.422	30932474
DeepCCS	[M+Na]+	155.825	30932474
AllCCS	[M+H]+	157.3	32859911
AllCCS	[M+H-H2O]+	153.8	32859911
AllCCS	[M+NH4]+	160.5	32859911
AllCCS	[M+Na]+	161.5	32859911
AllCCS	[M-H]-	145.4	32859911
AllCCS	[M+Na-2H]-	145.6	32859911
AllCCS	[M+HCOO]-	146.0	32859911

Predicted 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. Predicted by Afia on May 17, 2022.	1.3 minutes	32390414
Predicted by Siyang on May 30, 2022	10.2123 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	9.15 minutes	32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid	485.8 seconds	40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	508.6 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	341.8 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	11.9 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	204.8 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	104.5 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	323.6 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	232.1 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	870.1 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	597.1 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	47.2 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	719.4 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	208.7 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	384.4 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	933.5 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	565.3 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	502.0 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
D-myo-Inositol 4-phosphate	O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@H]1O	3380.4	Standard polar	33892256
D-myo-Inositol 4-phosphate	O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@H]1O	2061.3	Standard non polar	33892256
D-myo-Inositol 4-phosphate	O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@H]1O	2419.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
D-myo-Inositol 4-phosphate,1TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@H]1O	2113.9	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,1TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O)[C@H]1O	2119.8	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,1TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OP(=O)(O)O	2123.5	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,1TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H]1OP(=O)(O)O	2123.5	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,1TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1O	2119.8	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,1TMS,isomer #6	C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O	2214.4	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,2TMS,isomer #1	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](O)[C@H]1O	2111.6	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,2TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1OP(=O)(O)O	2115.1	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,2TMS,isomer #11	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2125.1	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,2TMS,isomer #12	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2195.2	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,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)[C@@H]1O[Si](C)(C)C	2125.0	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,2TMS,isomer #14	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H]1OP(=O)(O)O[Si](C)(C)C	2195.2	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,2TMS,isomer #15	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O	2209.4	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,2TMS,isomer #16	C[Si](C)(C)OP(=O)(O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O)O[Si](C)(C)C	2238.7	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,2TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1OP(=O)(O)O	2116.6	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,2TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]1O	2116.6	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,2TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@H]1O[Si](C)(C)C	2111.6	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,2TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H]1O	2209.3	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,2TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2119.1	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,2TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@H]1O	2115.1	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,2TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O)[C@H]1O[Si](C)(C)C	2125.0	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,2TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O	2209.4	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2100.3	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2166.8	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H]1O	2192.9	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TMS,isomer #12	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]1O[Si](C)(C)C	2136.1	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2136.1	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TMS,isomer #14	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2200.2	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TMS,isomer #15	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@H]1O[Si](C)(C)C	2094.2	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TMS,isomer #16	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O	2168.5	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TMS,isomer #17	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2165.0	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TMS,isomer #18	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	2198.5	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TMS,isomer #19	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2094.2	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	2124.7	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TMS,isomer #20	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2168.5	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TMS,isomer #21	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2163.9	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TMS,isomer #22	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2196.4	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,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)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2165.0	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TMS,isomer #24	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2196.4	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TMS,isomer #25	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	2198.5	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2140.1	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TMS,isomer #4	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](O)[C@H]1O	2166.8	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	2124.7	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2132.7	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2164.0	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2100.3	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	2164.0	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TMS,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]1O[Si](C)(C)C	2186.2	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2220.0	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TMS,isomer #11	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2175.2	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TMS,isomer #12	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2164.1	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TMS,isomer #13	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	2175.2	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TMS,isomer #14	C[Si](C)(C)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2176.3	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TMS,isomer #15	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2190.0	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TMS,isomer #16	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]1O[Si](C)(C)C	2219.1	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TMS,isomer #17	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2219.1	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TMS,isomer #18	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2250.1	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TMS,isomer #19	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2166.8	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TMS,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](O)[C@@H]1OP(=O)(O)O	2177.7	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TMS,isomer #20	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	2180.2	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TMS,isomer #21	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2144.9	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TMS,isomer #22	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2166.8	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TMS,isomer #23	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2180.2	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TMS,isomer #24	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2147.1	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TMS,isomer #25	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2144.9	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2164.1	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2177.7	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2211.2	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2223.7	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TMS,isomer #7	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](O)[C@H]1O	2176.3	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2186.2	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TMS,isomer #9	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	2211.2	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,5TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2213.2	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,5TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2280.1	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,5TMS,isomer #11	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2241.4	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,5TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2244.7	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,5TMS,isomer #13	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2273.2	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,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](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2273.2	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,5TMS,isomer #15	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2234.3	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,5TMS,isomer #16	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2234.3	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,5TMS,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]1O[Si](C)(C)C	2247.4	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,5TMS,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](O)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2244.9	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,5TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2241.4	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,5TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2244.9	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,5TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2270.4	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,5TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2265.7	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,5TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2247.4	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,5TMS,isomer #9	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	2270.4	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,6TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2273.6	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,6TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2307.9	Standard non polar	33892256
D-myo-Inositol 4-phosphate,6TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2556.8	Standard polar	33892256
D-myo-Inositol 4-phosphate,6TMS,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[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2277.8	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,6TMS,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[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2333.8	Standard non polar	33892256
D-myo-Inositol 4-phosphate,6TMS,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[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2474.3	Standard polar	33892256
D-myo-Inositol 4-phosphate,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](O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2278.3	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,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](O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2334.6	Standard non polar	33892256
D-myo-Inositol 4-phosphate,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](O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2476.6	Standard polar	33892256
D-myo-Inositol 4-phosphate,6TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2278.3	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,6TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2334.6	Standard non polar	33892256
D-myo-Inositol 4-phosphate,6TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2476.6	Standard polar	33892256
D-myo-Inositol 4-phosphate,6TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2277.8	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,6TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2333.8	Standard non polar	33892256
D-myo-Inositol 4-phosphate,6TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2474.3	Standard polar	33892256
D-myo-Inositol 4-phosphate,6TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2273.5	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,6TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2330.3	Standard non polar	33892256
D-myo-Inositol 4-phosphate,6TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2473.4	Standard polar	33892256
D-myo-Inositol 4-phosphate,7TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2327.1	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,7TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2392.6	Standard non polar	33892256
D-myo-Inositol 4-phosphate,7TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2460.1	Standard polar	33892256
D-myo-Inositol 4-phosphate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@H]1O	2429.8	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O)[C@H]1O	2423.6	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OP(=O)(O)O	2413.1	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H]1OP(=O)(O)O	2413.1	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1O	2423.6	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O	2504.6	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,2TBDMS,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](OP(=O)(O)O)[C@H](O)[C@H]1O	2615.5	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1OP(=O)(O)O	2616.0	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O)O	2610.2	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	2662.5	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,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)[C@@H]1O[Si](C)(C)C(C)(C)C	2616.2	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	2662.5	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O	2672.2	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OP(=O)(O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C	2718.7	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1OP(=O)(O)O	2610.7	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]1O	2610.7	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	2615.5	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	2679.6	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	2639.0	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OP(=O)(O)O)[C@H]1O	2616.0	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O)[C@H]1O[Si](C)(C)C(C)(C)C	2616.2	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O	2672.2	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,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](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	2754.9	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	2810.9	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	2833.6	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TBDMS,isomer #12	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]1O[Si](C)(C)C(C)(C)C	2773.5	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	2773.5	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	2834.7	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OP(=O)(O)O)[C@H]1O[Si](C)(C)C(C)(C)C	2754.8	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O	2815.8	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	2807.2	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O	2831.1	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O)O	2754.8	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	2760.6	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	2815.8	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	2802.8	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2820.6	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,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)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	2807.2	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2820.6	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O	2831.1	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	2772.7	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	2810.9	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	2760.6	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O)O	2772.7	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	2810.8	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C(C)(C)C	2754.9	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	2810.8	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OP(=O)(O)O)[C@H]1O[Si](C)(C)C(C)(C)C	3014.0	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3035.2	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3015.8	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3008.5	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	3015.8	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3015.5	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3008.0	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TBDMS,isomer #16	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]1O[Si](C)(C)C(C)(C)C	3035.1	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3035.1	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3046.1	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3012.3	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,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[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1OP(=O)(O)O	3013.2	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O	3023.9	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3003.0	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3012.3	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3023.9	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3001.8	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3003.0	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,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](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3008.5	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C(C)(C)C	3013.2	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3024.7	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3028.5	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TBDMS,isomer #7	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[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3015.5	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O)O	3014.0	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3024.7	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3259.1	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3252.2	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3230.6	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3257.1	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](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	3252.9	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,5TBDMS,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](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3252.9	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3232.5	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3232.5	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3258.1	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,5TBDMS,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[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3260.6	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3230.6	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3260.9	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3247.6	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3247.7	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3258.1	Semi standard non polar	33892256
D-myo-Inositol 4-phosphate,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3247.6	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - D-myo-Inositol 4-phosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-0005-9650000000-12db07845ff78aa5511d	2016-09-22	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-myo-Inositol 4-phosphate GC-MS (5 TMS) - 70eV, Positive	splash10-0a4i-2611259000-774915a3f6fc15006373	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-myo-Inositol 4-phosphate GC-MS (TBDMS_5_5) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-myo-Inositol 4-phosphate 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 4-phosphate GC-MS ("D-myo-Inositol 4-phosphate,5TBDMS,#5" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 4-phosphate 10V, Positive-QTOF	splash10-03di-2390000000-036684c0736cc37701a9	2016-09-14	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 4-phosphate 20V, Positive-QTOF	splash10-03dl-2290000000-2692f0855292325fd753	2016-09-14	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 4-phosphate 40V, Positive-QTOF	splash10-000w-9600000000-81c4994a2212052d4690	2016-09-14	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 4-phosphate 10V, Negative-QTOF	splash10-0a4i-4190000000-f8cff124acad5d21332f	2016-09-14	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 4-phosphate 20V, Negative-QTOF	splash10-004i-9220000000-2153b6c9b35a97307acb	2016-09-14	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 4-phosphate 40V, Negative-QTOF	splash10-004i-9000000000-5f386828ffd5102695f3	2016-09-14	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 4-phosphate 10V, Negative-QTOF	splash10-0a4i-0090000000-05d6010bb4bbf2b0c228	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 4-phosphate 20V, Negative-QTOF	splash10-0a6s-9280000000-69bd06f4ab8866ad9db1	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 4-phosphate 40V, Negative-QTOF	splash10-004j-9000000000-f3e6675946c65f8f8f07	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 4-phosphate 10V, Positive-QTOF	splash10-03di-0090000000-89fa9427c518aa95bbd0	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 4-phosphate 20V, Positive-QTOF	splash10-03di-0190000000-fa4c1ecfe995d290a153	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-myo-Inositol 4-phosphate 40V, Positive-QTOF	splash10-0002-9100000000-fc4055901243469636ad	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm (predicted from logP)

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

FDB022548

KNApSAcK ID

Not Available

Chemspider ID

17216102

KEGG Compound ID

C03546

BioCyc ID

D-MYO-INOSITOL-4-PHOSPHATE

BiGG ID

42060

Wikipedia Link

Not Available

METLIN ID

6151

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

18384

Food Biomarker Ontology

Not Available

VMH ID

MI4P_D

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Billington, David C.; Baker, Raymond; Kulagowski, Janusz J.; Mawer, Ian M. Synthesis of myo-inositol 1-phosphate and 4-phosphate, and of their individual enantiomers. Journal of the Chemical Society, Chemical Communications (1987), (4), 314-16.

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

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

Enzyme Details

2. Inositol monophosphatase 1

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

Reactions

D-myo-Inositol 4-phosphate + Water → myo-Inositol + Phosphate	details

Enzyme Details

3. Inositol monophosphatase 2

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

Reactions

D-myo-Inositol 4-phosphate + Water → myo-Inositol + Phosphate	details

Enzyme Details

4. Inositol monophosphatase 3

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

Reactions

D-myo-Inositol 4-phosphate + Water → myo-Inositol + Phosphate	details

Showing metabocard for D-myo-Inositol 4-phosphate (HMDB0001313)

MOL for HMDB0001313 (D-myo-Inositol 4-phosphate)

3D MOL for HMDB0001313 (D-myo-Inositol 4-phosphate)

3D SDF for HMDB0001313 (D-myo-Inositol 4-phosphate)

3D-SDF for HMDB0001313 (D-myo-Inositol 4-phosphate)

PDB for HMDB0001313 (D-myo-Inositol 4-phosphate)

3D PDB for HMDB0001313 (D-myo-Inositol 4-phosphate)

SMILES for HMDB0001313 (D-myo-Inositol 4-phosphate)

INCHI for HMDB0001313 (D-myo-Inositol 4-phosphate)

Structure for HMDB0001313 (D-myo-Inositol 4-phosphate)

3D Structure for HMDB0001313 (D-myo-Inositol 4-phosphate)

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

Reactions