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

Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2021-09-16 15:27:05 UTC

HMDB ID

HMDB0000213

Secondary Accession Numbers

HMDB00213

Metabolite Identification

Common Name

myo-Inositol 1-phosphate

Description

myo-Inositol 1-phosphate, also known as I1P or ins(1)p, belongs to the class of organic compounds known as inositol phosphates. Inositol phosphates are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety. myo-Inositol 1-phosphate is a metabolite of inositol phosphate metabolism and the phosphatidylinositol signalling system. Inositol phosphatases (EC:3.1.3.25) play a crucial role in the phosphatidylinositol signalling pathway. Expression is substantially higher in the subcortical regions of the brain, most prominently in the caudate. The phosphatidylinositol pathway is thought to be modified by lithium, a commonly prescribed medication in treating bipolar disorder (OMIM: 605922 ).

Structure

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

HMDB0000213
     RDKit          3D
myo-Inositol 1-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
    3.9287   -0.7256    1.6173 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1661   -0.4242    0.3372 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.3471    1.2332    0.0366 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8562   -1.3136   -0.9171 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5614   -0.8435    0.5958 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7011    0.0682   -0.0138 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0862   -0.6696   -1.0504 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1897    0.1019   -2.1960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4665   -1.0456   -0.6025 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4488   -1.9946    0.3872 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2247    0.2000   -0.2577 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5350    0.8462   -1.4603 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4744    1.1582    0.6010 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2590    1.4078    1.7510 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1482    0.6743    1.0718 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2702   -0.1627    2.1789 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1237    1.4435   -0.5174 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4986   -1.0775   -1.7919 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3152    0.8315   -0.5095 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4318   -1.6269   -1.3332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5107   -0.4369   -2.9653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9800   -1.5005   -1.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1423   -1.8778    1.0794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2224   -0.0852    0.1854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1315    1.6236   -1.3243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3549    2.1673    0.1210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4124    0.5503    2.2388 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4217    1.5791    1.4379 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5055   -0.1009    2.7911 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  6
  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


  Mrv1652309032023572D          

 16 16  0  0  0  0            999 V2000
 9998.231410000.2066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2304 9998.5569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.084710000.2049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.0857 9998.5587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6575 9997.7330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9431 9999.7941    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.9430 9998.9691    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9999.6576 9998.5566    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10000.3720 9998.9691    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.3721 9999.7941    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9999.657510000.2067    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9999.657610001.0289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.372310001.4410    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
 9999.960310002.1534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.087110001.0289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.784310002.1534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  7  1  0  0  0  0
  6 11  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
 10 11  1  0  0  0  0
  6  1  1  1  0  0  0
  7  2  1  6  0  0  0
  8  5  1  1  0  0  0
  9  4  1  6  0  0  0
 10  3  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
 11 12  1  6  0  0  0
M  END
> <DATABASE_ID>
HMDB0000213

> <DATABASE_NAME>
hmdb

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

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

> <INCHI_KEY>
INAPMGSXUVUWAF-UOTPTPDRSA-N

> <FORMULA>
C6H13O9P

> <MOLECULAR_WEIGHT>
260.135

> <EXACT_MASS>
260.029718997

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
20.713995302463452

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-1.98

> <JCHEM_LOGP>
-3.9055756833333333

> <ALOGPS_LOGS>
-0.82

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.194111788919007

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.1625722061585555

> <JCHEM_PKA_STRONGEST_BASIC>
-3.645813019693807

> <JCHEM_POLAR_SURFACE_AREA>
167.91

> <JCHEM_REFRACTIVITY>
46.6479

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.95e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
inositol 1-phosphate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0000213
     RDKit          3D
myo-Inositol 1-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
    3.9287   -0.7256    1.6173 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1661   -0.4242    0.3372 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.3471    1.2332    0.0366 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8562   -1.3136   -0.9171 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5614   -0.8435    0.5958 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7011    0.0682   -0.0138 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0862   -0.6696   -1.0504 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1897    0.1019   -2.1960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4665   -1.0456   -0.6025 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4488   -1.9946    0.3872 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2247    0.2000   -0.2577 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5350    0.8462   -1.4603 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4744    1.1582    0.6010 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2590    1.4078    1.7510 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1482    0.6743    1.0718 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2702   -0.1627    2.1789 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1237    1.4435   -0.5174 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4986   -1.0775   -1.7919 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3152    0.8315   -0.5095 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4318   -1.6269   -1.3332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5107   -0.4369   -2.9653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9800   -1.5005   -1.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1423   -1.8778    1.0794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2224   -0.0852    0.1854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1315    1.6236   -1.3243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3549    2.1673    0.1210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4124    0.5503    2.2388 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4217    1.5791    1.4379 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5055   -0.1009    2.7911 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  6
  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                                 03-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-20         0                                  
HETATM    1  O   UNK     0    8663.3658667.052   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0    8663.3638663.973   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0    8668.6918667.049   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0    8668.6938663.976   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0    8666.0278662.435   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0    8664.6948666.282   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8664.6948664.742   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8666.0288663.972   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8667.3618664.742   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8667.3618666.282   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8666.0278667.053   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0    8666.0288668.587   0.000  0.00  0.00           O+0
HETATM   13  P   UNK     0    8667.3628669.357   0.000  0.00  0.00           P+0
HETATM   14  O   UNK     0    8666.5938670.686   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0    8668.6968668.587   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0    8668.1318670.686   0.000  0.00  0.00           O+0
CONECT    1    6                                                            
CONECT    2    7                                                            
CONECT    3   10                                                            
CONECT    4    9                                                            
CONECT    5    8                                                            
CONECT    6    7   11    1                                                  
CONECT    7    6    8    2                                                  
CONECT    8    7    9    5                                                  
CONECT    9    8   10    4                                                  
CONECT   10    9   11    3                                                  
CONECT   11    6   10   12                                                  
CONECT   12   13   11                                                       
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    HMDB0000213
HETATM    1  O1  UNL     1       3.929  -0.726   1.617  1.00  0.00           O  
HETATM    2  P1  UNL     1       3.166  -0.424   0.337  1.00  0.00           P  
HETATM    3  O2  UNL     1       3.347   1.233   0.037  1.00  0.00           O  
HETATM    4  O3  UNL     1       3.856  -1.314  -0.917  1.00  0.00           O  
HETATM    5  O4  UNL     1       1.561  -0.844   0.596  1.00  0.00           O  
HETATM    6  C1  UNL     1       0.701   0.068  -0.014  1.00  0.00           C  
HETATM    7  C2  UNL     1      -0.086  -0.670  -1.050  1.00  0.00           C  
HETATM    8  O5  UNL     1      -0.190   0.102  -2.196  1.00  0.00           O  
HETATM    9  C3  UNL     1      -1.466  -1.046  -0.602  1.00  0.00           C  
HETATM   10  O6  UNL     1      -1.449  -1.995   0.387  1.00  0.00           O  
HETATM   11  C4  UNL     1      -2.225   0.200  -0.258  1.00  0.00           C  
HETATM   12  O7  UNL     1      -2.535   0.846  -1.460  1.00  0.00           O  
HETATM   13  C5  UNL     1      -1.474   1.158   0.601  1.00  0.00           C  
HETATM   14  O8  UNL     1      -2.259   1.408   1.751  1.00  0.00           O  
HETATM   15  C6  UNL     1      -0.148   0.674   1.072  1.00  0.00           C  
HETATM   16  O9  UNL     1      -0.270  -0.163   2.179  1.00  0.00           O  
HETATM   17  H1  UNL     1       4.124   1.443  -0.517  1.00  0.00           H  
HETATM   18  H2  UNL     1       3.499  -1.078  -1.792  1.00  0.00           H  
HETATM   19  H3  UNL     1       1.315   0.831  -0.509  1.00  0.00           H  
HETATM   20  H4  UNL     1       0.432  -1.627  -1.333  1.00  0.00           H  
HETATM   21  H5  UNL     1      -0.511  -0.437  -2.965  1.00  0.00           H  
HETATM   22  H6  UNL     1      -1.980  -1.500  -1.491  1.00  0.00           H  
HETATM   23  H7  UNL     1      -2.142  -1.878   1.079  1.00  0.00           H  
HETATM   24  H8  UNL     1      -3.222  -0.085   0.185  1.00  0.00           H  
HETATM   25  H9  UNL     1      -3.132   1.624  -1.324  1.00  0.00           H  
HETATM   26  H10 UNL     1      -1.355   2.167   0.121  1.00  0.00           H  
HETATM   27  H11 UNL     1      -2.412   0.550   2.239  1.00  0.00           H  
HETATM   28  H12 UNL     1       0.422   1.579   1.438  1.00  0.00           H  
HETATM   29  H13 UNL     1       0.505  -0.101   2.791  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

HMDB0000213
     RDKit          3D
myo-Inositol 1-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
    3.9287   -0.7256    1.6173 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1661   -0.4242    0.3372 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.3471    1.2332    0.0366 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8562   -1.3136   -0.9171 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5614   -0.8435    0.5958 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7011    0.0682   -0.0138 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0862   -0.6696   -1.0504 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1897    0.1019   -2.1960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4665   -1.0456   -0.6025 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4488   -1.9946    0.3872 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2247    0.2000   -0.2577 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5350    0.8462   -1.4603 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4744    1.1582    0.6010 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2590    1.4078    1.7510 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1482    0.6743    1.0718 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2702   -0.1627    2.1789 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1237    1.4435   -0.5174 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4986   -1.0775   -1.7919 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3152    0.8315   -0.5095 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4318   -1.6269   -1.3332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5107   -0.4369   -2.9653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9800   -1.5005   -1.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1423   -1.8778    1.0794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2224   -0.0852    0.1854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1315    1.6236   -1.3243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3549    2.1673    0.1210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4124    0.5503    2.2388 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4217    1.5791    1.4379 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5055   -0.1009    2.7911 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  6
  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 1-monophosphate	ChEBI
D-Myo-inositol 1-phosphate	ChEBI
I1P	ChEBI
Inositol 1-phosphate	ChEBI
Ins(1)p	ChEBI
Ins1p	ChEBI
Myoinositol 1-phosphate	ChEBI
Myo-inositol 1-phosphate	Kegg
1D-Myo-inositol 1-monophosphoric acid	Generator
D-Myo-inositol 1-phosphoric acid	Generator
Inositol 1-phosphoric acid	Generator
Myoinositol 1-phosphoric acid	Generator
Myo-inositol 1-phosphoric acid	Generator
1D-Myo-inositol 1-phosphoric acid	Generator
1-(Dihydrogen phosphate) myo-inositol	HMDB
1D-myo-Inositol 1-phosphate	HMDB
D-myo-Inositol-1-monophosphate	HMDB
IPhC	HMDB
Inositol monophosphate	HMDB
Inositol phosphate	HMDB
Inositophosphoric acid	HMDB
myo-Inositol 1-monophosphate	HMDB
myo-Inositol-1-phosphate	HMDB

Chemical Formula

C₆H₁₃O₉P

Average Molecular Weight

260.135

Monoisotopic Molecular Weight

260.029718997

IUPAC Name

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

Traditional Name

inositol 1-phosphate

CAS Registry Number

15421-51-9

SMILES

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

InChI Identifier

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

InChI Key

INAPMGSXUVUWAF-UOTPTPDRSA-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:18297 )

Ontology

Not Available

Saliva (HMDB: HMDB0000213)
Feces (HMDB: HMDB0000213)

Organ

Placenta (HMDB: HMDB0000213)

Non-excretory biofluid

Biofluid or Excreta

Saliva (PMID: 22308371)

Excreta

Biofluid or Excreta

Feces (PMID: 27275383)

Source

Endogenous

Endogenous (HMDB: HMDB0000213)

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

Equine

Horse (FooDB: FOOD00378)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

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

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

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

Herb and spice mixture

Curry powder (FooDB: FOOD00678)

Vegetable

Cabbage

Onion-family vegetable

Root vegetable

Shoot vegetable

Leaf vegetable

Common beet (FooDB: FOOD00025)
Endive (FooDB: FOOD00048)
Rocket salad (ssp.) (FooDB: FOOD00077)
Swamp cabbage (FooDB: FOOD00091)
Lettuce (FooDB: FOOD00095)
Garden cress (FooDB: FOOD00099)
Spinach (FooDB: FOOD00178)
Swiss chard (FooDB: FOOD00237)
Chicory leaves (FooDB: FOOD00250)
Garland chrysanthemum (FooDB: FOOD00333)
Corn salad (FooDB: FOOD00340)
Jute (FooDB: FOOD00389)
Lambsquarters (FooDB: FOOD00394)
Malabar spinach (FooDB: FOOD00404)
New Zealand spinach (FooDB: FOOD00415)
Yautia (FooDB: FOOD00510)
Ostrich fern (FooDB: FOOD00556)
Romaine lettuce (FooDB: FOOD00888)
Iceberg lettuce (FooDB: FOOD00973)
Pea shoots (FooDB: FOOD00975)
Yau choy (FooDB: FOOD00976)
Water spinach (FooDB: FOOD00977)

Fruit vegetable

Pepper (FooDB: FOOD00040)
Olive (FooDB: FOOD00121)
Avocado (FooDB: FOOD00130)
Garden tomato (FooDB: FOOD00171)
Cherry tomato (FooDB: FOOD00172)
Garden tomato (var.) (FooDB: FOOD00173)
Eggplant (FooDB: FOOD00174)
Pepper (C. baccatum) (FooDB: FOOD00231)
Pepper (C. chinense) (FooDB: FOOD00232)
Pepper (Capsicum) (FooDB: FOOD00233)
Groundcherry (FooDB: FOOD00371)
Pepper (C. frutescens) (FooDB: FOOD00428)
Mexican groundcherry (FooDB: FOOD00491)
Pepper (C. pubescens) (FooDB: FOOD00849)
Green bell pepper (FooDB: FOOD00877)
Yellow bell pepper (FooDB: FOOD00878)
Orange bell pepper (FooDB: FOOD00879)
Red bell pepper (FooDB: FOOD00880)
Italian sweet red pepper (FooDB: FOOD00881)
Jalapeno pepper (FooDB: FOOD00955)
Cubanelle pepper (FooDB: FOOD00971)

Tuber

Stalk vegetable

Other vegetable

Giant butterbur (FooDB: FOOD00314)
Carob (FooDB: FOOD00321)
Chinese water chestnut (FooDB: FOOD00332)
Horseradish tree (FooDB: FOOD00379)
Sacred lotus (FooDB: FOOD00402)
Nopal (FooDB: FOOD00416)
Okra (FooDB: FOOD00420)
Sesbania flower (FooDB: FOOD00469)
Agave (FooDB: FOOD00563)
Narrowleaf cattail (FooDB: FOOD00564)
Heart of palm (FooDB: FOOD00718)
Tree fern (FooDB: FOOD00797)

Mushroom

Castanospermum australe (FooDB: FOOD00893)
Gentiana lutea (FooDB: FOOD00894)
Juniperus communis (FooDB: FOOD00895)
Albizia gummifera (FooDB: FOOD00896)

Fruit

Tropical fruit

Citrus

Lime (FooDB: FOOD00053)
Lemon (FooDB: FOOD00054)
Pummelo (FooDB: FOOD00055)
Mandarin orange (Clementine, Tangerine) (FooDB: FOOD00056)
Sweet orange (FooDB: FOOD00057)
Grapefruit/Pummelo hybrid (FooDB: FOOD00255)
Grapefruit (FooDB: FOOD00256)
Persian lime (FooDB: FOOD00543)
Sour orange (FooDB: FOOD00918)
Mikan (FooDB: FOOD00932)
Clementine (FooDB: FOOD00959)

Pome

Berry

Black crowberry (FooDB: FOOD00075)
Strawberry (FooDB: FOOD00083)
Black huckleberry (FooDB: FOOD00084)
Sea-buckthornberry (FooDB: FOOD00087)
Mulberry (FooDB: FOOD00116)
Black mulberry (FooDB: FOOD00117)
Black chokeberry (FooDB: FOOD00136)
Blackcurrant (FooDB: FOOD00155)
Redcurrant (FooDB: FOOD00156)
Gooseberry (FooDB: FOOD00157)
Cloudberry (FooDB: FOOD00161)
Red raspberry (FooDB: FOOD00162)
Black raspberry (FooDB: FOOD00163)
Black elderberry (FooDB: FOOD00166)
Rowanberry (FooDB: FOOD00176)
Vaccinium (Blueberry, Cranberry, Huckleberry) (FooDB: FOOD00188)
Lowbush blueberry (FooDB: FOOD00189)
Sparkleberry (FooDB: FOOD00190)
Highbush blueberry (FooDB: FOOD00191)
American cranberry (FooDB: FOOD00192)
Bilberry (FooDB: FOOD00193)
Lingonberry (FooDB: FOOD00194)
Muscadine grape (FooDB: FOOD00203)
Common grape (FooDB: FOOD00204)
Arctic blackberry (FooDB: FOOD00207)
Bayberry (FooDB: FOOD00209)
Elliott's blueberry (FooDB: FOOD00210)
Canada blueberry (FooDB: FOOD00211)
Bog bilberry (FooDB: FOOD00212)
Buffalo currant (FooDB: FOOD00213)
European cranberry (FooDB: FOOD00217)
Deerberry (FooDB: FOOD00218)
Cascade huckleberry (FooDB: FOOD00220)
Oval-leaf huckleberry (FooDB: FOOD00221)
Evergreen huckleberry (FooDB: FOOD00222)
Red huckleberry (FooDB: FOOD00223)
Summer grape (FooDB: FOOD00227)
Fox grape (FooDB: FOOD00228)
Half-highbush blueberry (FooDB: FOOD00248)
Jostaberry (FooDB: FOOD00257)
Sweet rowanberry (FooDB: FOOD00265)
Skunk currant (FooDB: FOOD00267)
Squashberry (FooDB: FOOD00344)
Elderberry (FooDB: FOOD00358)
Grape (FooDB: FOOD00369)
Alaska blueberry (FooDB: FOOD00380)
Loganberry (FooDB: FOOD00400)
Ohelo berry (FooDB: FOOD00419)
Salmonberry (FooDB: FOOD00456)
Strawberry guava (FooDB: FOOD00482)
Boysenberry (FooDB: FOOD00542)
Chinese bayberry (FooDB: FOOD00852)
Saskatoon berry (FooDB: FOOD00884)
Nanking cherry (FooDB: FOOD00885)
Rabbiteye blueberry (FooDB: FOOD00898)
Blackberry (FooDB: FOOD00906)
Partridge berry (FooDB: FOOD00931)
Green grape (FooDB: FOOD00964)
Red grape (FooDB: FOOD00965)
Black plum (FooDB: FOOD00966)
Black raisin (FooDB: FOOD00968)
Chinese plum (FooDB: FOOD00978)
Green plum (FooDB: FOOD00979)
Wampee (FooDB: FOOD00980)
Goji (FooDB: FOOD00982)
Monk fruit (FooDB: FOOD00983)
Hawthorn (FooDB: FOOD00985)
Lantern fruit (FooDB: FOOD00986)
Cape gooseberry (FooDB: FOOD00988)

Other fruit

Fig (FooDB: FOOD00081)
Date (FooDB: FOOD00135)
Jujube (FooDB: FOOD00388)

Drupe

Prunus (Cherry, Plum) (FooDB: FOOD00143)
Apricot (FooDB: FOOD00144)
Sweet cherry (FooDB: FOOD00145)
Sour cherry (FooDB: FOOD00146)
European plum (FooDB: FOOD00147)
Peach (FooDB: FOOD00149)
Nectarine (FooDB: FOOD00229)
Peach (var.) (FooDB: FOOD00230)
Common chokecherry (FooDB: FOOD00562)

Nut

Cashew nut (FooDB: FOOD00011)
Peanut (FooDB: FOOD00016)
Brazil nut (FooDB: FOOD00024)
Pecan nut (FooDB: FOOD00044)
Chestnut (FooDB: FOOD00045)
Common hazelnut (FooDB: FOOD00062)
Black walnut (FooDB: FOOD00093)
Common walnut (FooDB: FOOD00094)
Pine nut (FooDB: FOOD00138)
Pistachio (FooDB: FOOD00140)
Almond (FooDB: FOOD00148)
Macadamia nut (M. tetraphylla) (FooDB: FOOD00225)
Japanese walnut (FooDB: FOOD00240)
Acorn (FooDB: FOOD00282)
Beech nut (FooDB: FOOD00299)
Butternut (FooDB: FOOD00316)
Chinese chestnut (FooDB: FOOD00331)
European chestnut (FooDB: FOOD00363)
Hazelnut (FooDB: FOOD00376)
Hickory nut (FooDB: FOOD00377)
Japanese chestnut (FooDB: FOOD00385)
Pili nut (FooDB: FOOD00432)
Colorado pinyon (FooDB: FOOD00433)
Macadamia nut (FooDB: FOOD00525)
Walnut (FooDB: FOOD00608)

Cereal and cereal product

Cereal

Cereal product

Pasta (FooDB: FOOD00273)
Bulgur (FooDB: FOOD00741)
Semolina (FooDB: FOOD00745)
Flour (FooDB: FOOD00799)

Dough

Sourdough (FooDB: FOOD00275)

Leavened bread

Flat bread

Other bread

Potato bread (FooDB: FOOD00811)

Sweet bread

Raisin bread (FooDB: FOOD00817)

Pulse

Pea

Lentil

Lentils (FooDB: FOOD00098)

Other pulse

Lupine (FooDB: FOOD00104)
White lupine (FooDB: FOOD00403)

Bean

Green lentil (FooDB: FOOD00970)

Gourd

Watermelon (FooDB: FOOD00052)
Muskmelon (FooDB: FOOD00064)
Cucumber (FooDB: FOOD00065)
Cucurbita (FooDB: FOOD00066)
Bitter gourd (FooDB: FOOD00115)
Winter squash (FooDB: FOOD00283)
Butternut squash (FooDB: FOOD00317)
Calabash (FooDB: FOOD00318)
Chayote (FooDB: FOOD00325)
Towel gourd (FooDB: FOOD00492)
Wax gourd (FooDB: FOOD00499)
Tinda (FooDB: FOOD00559)
Horned melon (FooDB: FOOD00761)
Sunburst squash (pattypan squash) (FooDB: FOOD00874)
Green zucchini (FooDB: FOOD00875)
Yellow zucchini (FooDB: FOOD00876)
Japanese pumpkin (FooDB: FOOD00886)
Acorn squash (FooDB: FOOD00972)
Cantaloupe melon (FooDB: FOOD00984)

Coffee and coffee product

Coffee

Arabica coffee (FooDB: FOOD00059)
Robusta coffee (FooDB: FOOD00060)

Soy

Soy bean (FooDB: FOOD00085)

Soy product

Soy sauce (FooDB: FOOD00694)
Miso (FooDB: FOOD00695)
Tofu (FooDB: FOOD00696)
Soy milk (FooDB: FOOD00736)
Soy cream (FooDB: FOOD00784)

Dish

Other dish

Taco shell (FooDB: FOOD00991)
Tostada shell (FooDB: FOOD00992)

Tea

Herbal tea

Hibiscus tea (FooDB: FOOD00723)
Greenthread tea (FooDB: FOOD00820)

Baking good

Wrapper

Wonton wrapper (FooDB: FOOD00818)

Milk and milk product

Unfermented milk

Milk (Cow) (FooDB: FOOD00618)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Inositol Metabolism (HMDB: HMDB0000213)
Inositol Phosphate Metabolism (HMDB: HMDB0000213)
Inositol Phosphate Metabolism (PathBank: SMP0002394)
Inositol Metabolism (PathBank: SMP0002397)

Inositol Metabolism (HMDB: HMDB0000213)

Role

Biological role

Molecular messenger

Second messenger (HMDB: HMDB0000213)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	195 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	333 mg/mL	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	20.71 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
DeepCCS	[M+H]+	149.99	30932474
DeepCCS	[M-H]-	147.594	30932474
DeepCCS	[M-2H]-	181.996	30932474
DeepCCS	[M+Na]+	156.392	30932474

Predicted Kovats Retention Indices

Underivatized

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

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
myo-Inositol 1-phosphate,1TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@H]1O	2113.9	Semi standard non polar	33892256
myo-Inositol 1-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
myo-Inositol 1-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
myo-Inositol 1-phosphate,1TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O	2123.5	Semi standard non polar	33892256
myo-Inositol 1-phosphate,1TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O)[C@@H]1O	2119.8	Semi standard non polar	33892256
myo-Inositol 1-phosphate,1TMS,isomer #6	C[Si](C)(C)OP(=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O	2214.4	Semi standard non polar	33892256
myo-Inositol 1-phosphate,2TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O)[C@@H]1O	2111.6	Semi standard non polar	33892256
myo-Inositol 1-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](OP(=O)(O)O)[C@@H]1O	2115.1	Semi standard non polar	33892256
myo-Inositol 1-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
myo-Inositol 1-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
myo-Inositol 1-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
myo-Inositol 1-phosphate,2TMS,isomer #14	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O	2195.2	Semi standard non polar	33892256
myo-Inositol 1-phosphate,2TMS,isomer #15	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O	2209.4	Semi standard non polar	33892256
myo-Inositol 1-phosphate,2TMS,isomer #16	C[Si](C)(C)OP(=O)(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)O[Si](C)(C)C	2238.7	Semi standard non polar	33892256
myo-Inositol 1-phosphate,2TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@@H]1O	2116.6	Semi standard non polar	33892256
myo-Inositol 1-phosphate,2TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@H]1O	2116.6	Semi standard non polar	33892256
myo-Inositol 1-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
myo-Inositol 1-phosphate,2TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H]1O	2209.3	Semi standard non polar	33892256
myo-Inositol 1-phosphate,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]1O	2119.1	Semi standard non polar	33892256
myo-Inositol 1-phosphate,2TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	2115.1	Semi standard non polar	33892256
myo-Inositol 1-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
myo-Inositol 1-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
myo-Inositol 1-phosphate,3TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2140.1	Semi standard non polar	33892256
myo-Inositol 1-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
myo-Inositol 1-phosphate,3TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H]1O	2192.9	Semi standard non polar	33892256
myo-Inositol 1-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[Si](C)(C)C)[C@@H](OP(=O)(O)O)[C@@H]1O	2136.1	Semi standard non polar	33892256
myo-Inositol 1-phosphate,3TMS,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)O)[C@@H]1O[Si](C)(C)C	2136.1	Semi standard non polar	33892256
myo-Inositol 1-phosphate,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]1O	2200.2	Semi standard non polar	33892256
myo-Inositol 1-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
myo-Inositol 1-phosphate,3TMS,isomer #16	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	2168.5	Semi standard non polar	33892256
myo-Inositol 1-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
myo-Inositol 1-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
myo-Inositol 1-phosphate,3TMS,isomer #19	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1OP(=O)(O)O	2094.2	Semi standard non polar	33892256
myo-Inositol 1-phosphate,3TMS,isomer #2	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[Si](C)(C)C)[C@H]1O	2124.7	Semi standard non polar	33892256
myo-Inositol 1-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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O	2168.5	Semi standard non polar	33892256
myo-Inositol 1-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
myo-Inositol 1-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
myo-Inositol 1-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
myo-Inositol 1-phosphate,3TMS,isomer #24	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O	2196.4	Semi standard non polar	33892256
myo-Inositol 1-phosphate,3TMS,isomer #25	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	2198.5	Semi standard non polar	33892256
myo-Inositol 1-phosphate,3TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2100.3	Semi standard non polar	33892256
myo-Inositol 1-phosphate,3TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O	2166.8	Semi standard non polar	33892256
myo-Inositol 1-phosphate,3TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2124.7	Semi standard non polar	33892256
myo-Inositol 1-phosphate,3TMS,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)O)[C@H](O[Si](C)(C)C)[C@@H]1O	2132.7	Semi standard non polar	33892256
myo-Inositol 1-phosphate,3TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	2164.0	Semi standard non polar	33892256
myo-Inositol 1-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
myo-Inositol 1-phosphate,3TMS,isomer #9	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2164.0	Semi standard non polar	33892256
myo-Inositol 1-phosphate,4TMS,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[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2177.7	Semi standard non polar	33892256
myo-Inositol 1-phosphate,4TMS,isomer #10	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[Si](C)(C)C)[C@@H]1O	2220.0	Semi standard non polar	33892256
myo-Inositol 1-phosphate,4TMS,isomer #11	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	2175.2	Semi standard non polar	33892256
myo-Inositol 1-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
myo-Inositol 1-phosphate,4TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2175.2	Semi standard non polar	33892256
myo-Inositol 1-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
myo-Inositol 1-phosphate,4TMS,isomer #15	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]1O[Si](C)(C)C	2190.0	Semi standard non polar	33892256
myo-Inositol 1-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[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O	2219.1	Semi standard non polar	33892256
myo-Inositol 1-phosphate,4TMS,isomer #17	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
myo-Inositol 1-phosphate,4TMS,isomer #18	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	2250.1	Semi standard non polar	33892256
myo-Inositol 1-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
myo-Inositol 1-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](OP(=O)(O)O)[C@@H]1O	2177.7	Semi standard non polar	33892256
myo-Inositol 1-phosphate,4TMS,isomer #20	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	2180.2	Semi standard non polar	33892256
myo-Inositol 1-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
myo-Inositol 1-phosphate,4TMS,isomer #22	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C	2166.8	Semi standard non polar	33892256
myo-Inositol 1-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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	2180.2	Semi standard non polar	33892256
myo-Inositol 1-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
myo-Inositol 1-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
myo-Inositol 1-phosphate,4TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2223.7	Semi standard non polar	33892256
myo-Inositol 1-phosphate,4TMS,isomer #4	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[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2186.2	Semi standard non polar	33892256
myo-Inositol 1-phosphate,4TMS,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[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2211.2	Semi standard non polar	33892256
myo-Inositol 1-phosphate,4TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2164.1	Semi standard non polar	33892256
myo-Inositol 1-phosphate,4TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	2176.3	Semi standard non polar	33892256
myo-Inositol 1-phosphate,4TMS,isomer #8	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
myo-Inositol 1-phosphate,4TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2211.2	Semi standard non polar	33892256
myo-Inositol 1-phosphate,5TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2213.2	Semi standard non polar	33892256
myo-Inositol 1-phosphate,5TMS,isomer #10	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[Si](C)(C)C)[C@@H]1O	2280.1	Semi standard non polar	33892256
myo-Inositol 1-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
myo-Inositol 1-phosphate,5TMS,isomer #12	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]1O[Si](C)(C)C	2244.7	Semi standard non polar	33892256
myo-Inositol 1-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[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	2273.2	Semi standard non polar	33892256
myo-Inositol 1-phosphate,5TMS,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[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2273.2	Semi standard non polar	33892256
myo-Inositol 1-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
myo-Inositol 1-phosphate,5TMS,isomer #16	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2234.3	Semi standard non polar	33892256
myo-Inositol 1-phosphate,5TMS,isomer #2	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[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2244.9	Semi standard non polar	33892256
myo-Inositol 1-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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O	2244.9	Semi standard non polar	33892256
myo-Inositol 1-phosphate,5TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2265.7	Semi standard non polar	33892256
myo-Inositol 1-phosphate,5TMS,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[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2247.4	Semi standard non polar	33892256
myo-Inositol 1-phosphate,5TMS,isomer #6	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[Si](C)(C)C)[C@H]1O	2270.4	Semi standard non polar	33892256
myo-Inositol 1-phosphate,5TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2241.4	Semi standard non polar	33892256
myo-Inositol 1-phosphate,5TMS,isomer #8	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
myo-Inositol 1-phosphate,5TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2270.4	Semi standard non polar	33892256
myo-Inositol 1-phosphate,6TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2273.6	Semi standard non polar	33892256
myo-Inositol 1-phosphate,6TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2307.9	Standard non polar	33892256
myo-Inositol 1-phosphate,6TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2556.8	Standard polar	33892256
myo-Inositol 1-phosphate,6TMS,isomer #2	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[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2278.3	Semi standard non polar	33892256
myo-Inositol 1-phosphate,6TMS,isomer #2	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[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2334.6	Standard non polar	33892256
myo-Inositol 1-phosphate,6TMS,isomer #2	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[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2476.6	Standard polar	33892256
myo-Inositol 1-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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	2278.3	Semi standard non polar	33892256
myo-Inositol 1-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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	2334.6	Standard non polar	33892256
myo-Inositol 1-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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	2476.6	Standard polar	33892256
myo-Inositol 1-phosphate,6TMS,isomer #4	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[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2277.8	Semi standard non polar	33892256
myo-Inositol 1-phosphate,6TMS,isomer #4	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[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2333.8	Standard non polar	33892256
myo-Inositol 1-phosphate,6TMS,isomer #4	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[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2474.3	Standard polar	33892256
myo-Inositol 1-phosphate,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[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2277.8	Semi standard non polar	33892256
myo-Inositol 1-phosphate,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[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2333.8	Standard non polar	33892256
myo-Inositol 1-phosphate,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[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2474.3	Standard polar	33892256
myo-Inositol 1-phosphate,6TMS,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]1O[Si](C)(C)C	2273.5	Semi standard non polar	33892256
myo-Inositol 1-phosphate,6TMS,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]1O[Si](C)(C)C	2330.3	Standard non polar	33892256
myo-Inositol 1-phosphate,6TMS,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]1O[Si](C)(C)C	2473.4	Standard polar	33892256
myo-Inositol 1-phosphate,7TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2327.1	Semi standard non polar	33892256
myo-Inositol 1-phosphate,7TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2392.6	Standard non polar	33892256
myo-Inositol 1-phosphate,7TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2460.1	Standard polar	33892256
myo-Inositol 1-phosphate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@H]1O	2429.8	Semi standard non polar	33892256
myo-Inositol 1-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
myo-Inositol 1-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
myo-Inositol 1-phosphate,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O	2413.1	Semi standard non polar	33892256
myo-Inositol 1-phosphate,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O)[C@@H]1O	2423.6	Semi standard non polar	33892256
myo-Inositol 1-phosphate,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OP(=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O	2504.6	Semi standard non polar	33892256
myo-Inositol 1-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](O)[C@H](OP(=O)(O)O)[C@@H]1O	2615.5	Semi standard non polar	33892256
myo-Inositol 1-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](OP(=O)(O)O)[C@@H]1O	2616.0	Semi standard non polar	33892256
myo-Inositol 1-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
myo-Inositol 1-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
myo-Inositol 1-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
myo-Inositol 1-phosphate,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O	2662.5	Semi standard non polar	33892256
myo-Inositol 1-phosphate,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O	2672.2	Semi standard non polar	33892256
myo-Inositol 1-phosphate,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OP(=O)(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C	2718.7	Semi standard non polar	33892256
myo-Inositol 1-phosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	2610.7	Semi standard non polar	33892256
myo-Inositol 1-phosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	2610.7	Semi standard non polar	33892256
myo-Inositol 1-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
myo-Inositol 1-phosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	2679.6	Semi standard non polar	33892256
myo-Inositol 1-phosphate,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]1O	2639.0	Semi standard non polar	33892256
myo-Inositol 1-phosphate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	2616.0	Semi standard non polar	33892256
myo-Inositol 1-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
myo-Inositol 1-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
myo-Inositol 1-phosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	2772.7	Semi standard non polar	33892256
myo-Inositol 1-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
myo-Inositol 1-phosphate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	2833.6	Semi standard non polar	33892256
myo-Inositol 1-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[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O)[C@@H]1O	2773.5	Semi standard non polar	33892256
myo-Inositol 1-phosphate,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)[C@@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C(C)(C)C	2773.5	Semi standard non polar	33892256
myo-Inositol 1-phosphate,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]1O	2834.7	Semi standard non polar	33892256
myo-Inositol 1-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
myo-Inositol 1-phosphate,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	2815.8	Semi standard non polar	33892256
myo-Inositol 1-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
myo-Inositol 1-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
myo-Inositol 1-phosphate,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OP(=O)(O)O	2754.8	Semi standard non polar	33892256
myo-Inositol 1-phosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	2760.6	Semi standard non polar	33892256
myo-Inositol 1-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](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O	2815.8	Semi standard non polar	33892256
myo-Inositol 1-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
myo-Inositol 1-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
myo-Inositol 1-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
myo-Inositol 1-phosphate,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O	2820.6	Semi standard non polar	33892256
myo-Inositol 1-phosphate,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O	2831.1	Semi standard non polar	33892256
myo-Inositol 1-phosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	2754.9	Semi standard non polar	33892256
myo-Inositol 1-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](O)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O	2810.9	Semi standard non polar	33892256
myo-Inositol 1-phosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	2760.6	Semi standard non polar	33892256
myo-Inositol 1-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](OP(=O)(O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	2772.7	Semi standard non polar	33892256
myo-Inositol 1-phosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	2810.8	Semi standard non polar	33892256
myo-Inositol 1-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
myo-Inositol 1-phosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	2810.8	Semi standard non polar	33892256
myo-Inositol 1-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](OP(=O)(O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3013.2	Semi standard non polar	33892256
myo-Inositol 1-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](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3035.2	Semi standard non polar	33892256
myo-Inositol 1-phosphate,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3015.8	Semi standard non polar	33892256
myo-Inositol 1-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
myo-Inositol 1-phosphate,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3015.8	Semi standard non polar	33892256
myo-Inositol 1-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
myo-Inositol 1-phosphate,4TBDMS,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[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C(C)(C)C	3008.0	Semi standard non polar	33892256
myo-Inositol 1-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[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O	3035.1	Semi standard non polar	33892256
myo-Inositol 1-phosphate,4TBDMS,isomer #17	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
myo-Inositol 1-phosphate,4TBDMS,isomer #18	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	3046.1	Semi standard non polar	33892256
myo-Inositol 1-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
myo-Inositol 1-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](OP(=O)(O)O)[C@@H]1O	3013.2	Semi standard non polar	33892256
myo-Inositol 1-phosphate,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3023.9	Semi standard non polar	33892256
myo-Inositol 1-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
myo-Inositol 1-phosphate,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3012.3	Semi standard non polar	33892256
myo-Inositol 1-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](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O	3023.9	Semi standard non polar	33892256
myo-Inositol 1-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
myo-Inositol 1-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
myo-Inositol 1-phosphate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3028.5	Semi standard non polar	33892256
myo-Inositol 1-phosphate,4TBDMS,isomer #4	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[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3014.0	Semi standard non polar	33892256
myo-Inositol 1-phosphate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3024.7	Semi standard non polar	33892256
myo-Inositol 1-phosphate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3008.5	Semi standard non polar	33892256
myo-Inositol 1-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](O)[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O	3015.5	Semi standard non polar	33892256
myo-Inositol 1-phosphate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[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
myo-Inositol 1-phosphate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3024.7	Semi standard non polar	33892256
myo-Inositol 1-phosphate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C(C)(C)C	3259.1	Semi standard non polar	33892256
myo-Inositol 1-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](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	3252.2	Semi standard non polar	33892256
myo-Inositol 1-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
myo-Inositol 1-phosphate,5TBDMS,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[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	3257.1	Semi standard non polar	33892256
myo-Inositol 1-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[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	3252.9	Semi standard non polar	33892256
myo-Inositol 1-phosphate,5TBDMS,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[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
myo-Inositol 1-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
myo-Inositol 1-phosphate,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3232.5	Semi standard non polar	33892256
myo-Inositol 1-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](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3260.8	Semi standard non polar	33892256
myo-Inositol 1-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](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O	3260.6	Semi standard non polar	33892256
myo-Inositol 1-phosphate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3247.7	Semi standard non polar	33892256
myo-Inositol 1-phosphate,5TBDMS,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[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3258.1	Semi standard non polar	33892256
myo-Inositol 1-phosphate,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](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	3247.6	Semi standard non polar	33892256
myo-Inositol 1-phosphate,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3230.6	Semi standard non polar	33892256
myo-Inositol 1-phosphate,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[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
myo-Inositol 1-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
Experimental GC-MS	GC-MS Spectrum - myo-Inositol 1-phosphate GC-MS (7 TMS)	splash10-014i-1559000000-8a2b9550f104f28e0f7d	2019-11-07	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - myo-Inositol 1-phosphate GC-MS (7 TMS)	splash10-014i-0149000000-db7a2abef248fd1db09b	2019-11-07	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - myo-Inositol 1-phosphate GC-MS (Non-derivatized)	splash10-014i-1559000000-8a2b9550f104f28e0f7d	2019-11-07	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - myo-Inositol 1-phosphate GC-MS (Non-derivatized)	splash10-014i-0149000000-db7a2abef248fd1db09b	2019-11-07	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - myo-Inositol 1-phosphate GC-MS (TBDMS_5_2) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - myo-Inositol 1-phosphate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - myo-Inositol 1-phosphate GC-MS ("myo-Inositol 1-phosphate,5TBDMS,#2" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - myo-Inositol 1-phosphate GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - myo-Inositol 1-phosphate GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - myo-Inositol 1-phosphate GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - myo-Inositol 1-phosphate GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - myo-Inositol 1-phosphate GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - myo-Inositol 1-phosphate GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - myo-Inositol 1-phosphate GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - myo-Inositol 1-phosphate GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - myo-Inositol 1-phosphate GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - myo-Inositol 1-phosphate GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - myo-Inositol 1-phosphate GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - myo-Inositol 1-phosphate GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - myo-Inositol 1-phosphate GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - myo-Inositol 1-phosphate GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - myo-Inositol 1-phosphate GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - myo-Inositol 1-phosphate GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - myo-Inositol 1-phosphate GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - myo-Inositol 1-phosphate GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - myo-Inositol 1-phosphate 10V, Positive-QTOF	Not Available	2020-06-30	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - myo-Inositol 1-phosphate 20V, Positive-QTOF	Not Available	2020-06-30	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - myo-Inositol 1-phosphate 40V, Positive-QTOF	Not Available	2020-06-30	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - myo-Inositol 1-phosphate 10V, Negative-QTOF	Not Available	2020-06-30	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - myo-Inositol 1-phosphate 20V, Negative-QTOF	Not Available	2020-06-30	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - myo-Inositol 1-phosphate 40V, Negative-QTOF	Not Available	2020-06-30	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - myo-Inositol 1-phosphate 10V, Positive-QTOF	splash10-03di-0090000000-89fa9427c518aa95bbd0	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - myo-Inositol 1-phosphate 20V, Positive-QTOF	splash10-03di-0190000000-fa4c1ecfe995d290a153	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - myo-Inositol 1-phosphate 40V, Positive-QTOF	splash10-0002-9100000000-fc4055901243469636ad	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - myo-Inositol 1-phosphate 10V, Negative-QTOF	splash10-0a4i-0090000000-05d6010bb4bbf2b0c228	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - myo-Inositol 1-phosphate 20V, Negative-QTOF	splash10-0a6s-9280000000-69bd06f4ab8866ad9db1	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - myo-Inositol 1-phosphate 40V, Negative-QTOF	splash10-004j-9000000000-f3e6675946c65f8f8f07	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Feces
Saliva

Tissue Locations

Placenta

Pathways

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

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	25037050	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Male	Normal	22308371	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Male	Normal	22308371	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Male	Normal	22308371	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Male	Normal	22308371	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Male	Normal	22308371	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Male	Normal	22308371	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Male	Normal	22308371	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Male	Normal	22308371	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Male	Normal	22308371	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Male	Normal	22308371	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Colorectal Cancer	27275383	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Colorectal cancer	27015276	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Colorectal cancer	25037050	details

Associated Disorders and Diseases

Disease References

Colorectal cancer

Brown DG, Rao S, Weir TL, O'Malia J, Bazan M, Brown RJ, Ryan EP: Metabolomics and metabolic pathway networks from human colorectal cancers, adjacent mucosa, and stool. Cancer Metab. 2016 Jun 6;4:11. doi: 10.1186/s40170-016-0151-y. eCollection 2016. [PubMed:27275383 ]
Sinha R, Ahn J, Sampson JN, Shi J, Yu G, Xiong X, Hayes RB, Goedert JJ: Fecal Microbiota, Fecal Metabolome, and Colorectal Cancer Interrelations. PLoS One. 2016 Mar 25;11(3):e0152126. doi: 10.1371/journal.pone.0152126. eCollection 2016. [PubMed:27015276 ]
Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]

Associated OMIM IDs

114500 (Colorectal cancer)

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

D-MYO-INOSITOL-1-MONOPHOSPHATE

BiGG ID

Not Available

Wikipedia Link

Inositol_phosphate

METLIN ID

359

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

18297

Food Biomarker Ontology

Not Available

VMH ID

MI1P_D

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Klyashchitskii, B. A.; Pimenova, V. V.; Shvets, V. I.; Sokolov, S. D.; Preobrazhenskii, N. A. Total synthesis of sn-myoinositol 1-phosphate. Zhurnal Obshchei Khimii (1969), 39(10), 2373.

Material Safety Data Sheet (MSDS)

Download (PDF)

General References

Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]

Enzymes

Enzyme Details

1. Annexin A3

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

Enzyme Details

2. Inositol monophosphatase 1

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

Reactions

myo-Inositol 1-phosphate + Water → myo-Inositol + Phosphate	details

Enzyme Details

3. Inositol monophosphatase 2

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

Reactions

myo-Inositol 1-phosphate + Water → myo-Inositol + Phosphate	details

Enzyme Details

4. 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

5. Inositol-3-phosphate synthase 1

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

Reactions

Glucose 6-phosphate → myo-Inositol 1-phosphate	details

Enzyme Details

6. 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

Enzyme Details

7. Inositol monophosphatase 3

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

Reactions

myo-Inositol 1-phosphate + Water → myo-Inositol + Phosphate	details

Showing metabocard for myo-Inositol 1-phosphate (HMDB0000213)

MOL for HMDB0000213 (myo-Inositol 1-phosphate)

3D MOL for HMDB0000213 (myo-Inositol 1-phosphate)

3D SDF for HMDB0000213 (myo-Inositol 1-phosphate)

3D-SDF for HMDB0000213 (myo-Inositol 1-phosphate)

PDB for HMDB0000213 (myo-Inositol 1-phosphate)

3D PDB for HMDB0000213 (myo-Inositol 1-phosphate)

SMILES for HMDB0000213 (myo-Inositol 1-phosphate)

INCHI for HMDB0000213 (myo-Inositol 1-phosphate)

Structure for HMDB0000213 (myo-Inositol 1-phosphate)

3D Structure for HMDB0000213 (myo-Inositol 1-phosphate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

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