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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (25) Show 25 proteins XML

enzymes (25) Show 25 proteins

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2021-09-14 15:18:17 UTC

HMDB ID

HMDB0001498

Secondary Accession Numbers

HMDB01498

Metabolite Identification

Common Name

myo-Inositol 1,4,5-trisphosphate

Description

myo-Inositol 1,4,5-trisphosphate (CAS: 20298-95-7), also known as Ins(1,4,5)P3 or InsP3, is an intracellular messenger formed by the action of phospholipase C on phosphatidylinositol 4,5-bisphosphate, which is one of the phospholipids that make up the cell membrane (PMID: 22453946 ). It is released into the cytoplasm where it releases calcium ions from internal stores within the cell's endoplasmic reticulum. These calcium ions stimulate the activity of B kinase or calmodulin (PMID: 15189149 ). Its transient accumulation is due both to the enhanced metabolism via the Ca2+-calmodulin-sensitive Ins(1,4,5)P3 kinase, as well as a down-regulation of phosphatidylinositol 4,5-bisphosphate hydrolysis (PMID: 3041962 ). It is a major regulator of apoptotic signalling driving calcium (Ca2+) transients from the endoplasmic reticulum to mitochondria, thereby establishing a functional and physical link between these organelles. It also regulates autophagy through the interaction with Beclin 1 complex, and in particular, its inhibition/depletion strongly induces macroautophagy (PMID: 19325567 ). In addition, recent evidence suggests that the penetrating sperm delivers into mammalian eggs a novel isoform of phospholipase C (PLC), which promotes the formation of inositol 1,4,5-trisphosphate (PMID: 15362223 ).

Structure

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

HMDB0001498
     RDKit          3D
myo-Inositol 1,4,5-trisphosphate
 39 39  0  0  0  0  0  0  0  0999 V2000
   -4.0612    1.7223   -0.4293 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2889    0.2461   -0.1430 P   0  0  0  0  0  5  0  0  0  0  0  0
   -4.6370   -0.5673   -1.5874 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6035    0.1135    0.9073 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9592   -0.4466    0.5982 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8065   -0.3918   -0.1876 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8529    0.5204    0.5008 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3559    1.8369    0.4081 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4721    0.5213   -0.2107 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3219    1.3716    0.5353 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9269    2.6165   -0.4037 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.9786    2.1496   -1.8402 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4793    2.9993    0.1391 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9806    4.0226   -0.2416 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0472   -0.8561   -0.1253 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2498   -0.7982   -0.8622 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6054   -0.9851    0.0641 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.3996   -0.7205    1.5295 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7696    0.1479   -0.4758 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2518   -2.5235   -0.2133 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1544   -1.9393   -0.6041 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5220   -3.1152    0.0960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2889   -1.7500   -0.4962 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8474   -2.6359    0.4596 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4158   -0.0905   -1.9889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2937   -0.0536    1.8405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1188    0.1289   -1.1414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6865    0.2375    1.5381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7053    2.1618    1.2611 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4122    0.8879   -1.2432 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8157    3.7978   -0.3642 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5276    4.8354   -0.3707 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3597   -1.0213    0.9400 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5126    0.2147    0.1616 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5919   -3.1520   -0.5472 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4638   -2.1652   -1.6689 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5246   -2.9327    1.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7801   -2.0827   -1.4605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6659   -2.3047    1.3740 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
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
  9 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 17 20  1  0
 15 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 23  6  1  0
  3 25  1  0
  4 26  1  0
  6 27  1  6
  7 28  1  1
  8 29  1  0
  9 30  1  6
 13 31  1  0
 14 32  1  0
 15 33  1  1
 19 34  1  0
 20 35  1  0
 21 36  1  6
 22 37  1  0
 23 38  1  6
 24 39  1  0
M  END


  Mrv1652309042000242D          

 24 24  0  0  0  0            999 V2000
    0.3552    1.6476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7836    0.8243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0685    2.0604    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.6576    2.7736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7857    1.6455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4814    2.7736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3567   -0.8238    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0713   -0.4111    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0713    0.4138    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3567    0.8264    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3578    0.4138    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3578   -0.4111    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0765    0.8119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0755   -1.6463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3614   -2.0596    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7728   -2.7736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3566   -1.6442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0518   -2.7736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7842    0.4156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7850   -0.4092    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6092   -0.4100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0663   -0.8236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1968   -1.1243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7833   -0.8201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  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
 11 12  1  0  0  0  0
 10  1  1  6  0  0  0
  9  2  1  6  0  0  0
 11 13  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
  7 17  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 12 22  1  6  0  0  0
  8 24  1  6  0  0  0
M  END
> <DATABASE_ID>
HMDB0001498

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3+,4-,5-,6-/m1/s1

> <INCHI_KEY>
MMWCIQZXVOZEGG-XJTPDSDZSA-N

> <FORMULA>
C6H15O15P3

> <MOLECULAR_WEIGHT>
420.0956

> <EXACT_MASS>
419.962379346

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
29.607530919943862

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-0.86

> <JCHEM_LOGP>
-4.152707746

> <ALOGPS_LOGS>
-1.45

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-6

> <JCHEM_PKA>
1.036823557327442

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.5363206524866495

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6688996734755257

> <JCHEM_POLAR_SURFACE_AREA>
260.96999999999997

> <JCHEM_REFRACTIVITY>
68.3937

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.48e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
InsP3

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001498
     RDKit          3D
myo-Inositol 1,4,5-trisphosphate
 39 39  0  0  0  0  0  0  0  0999 V2000
   -4.0612    1.7223   -0.4293 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2889    0.2461   -0.1430 P   0  0  0  0  0  5  0  0  0  0  0  0
   -4.6370   -0.5673   -1.5874 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6035    0.1135    0.9073 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9592   -0.4466    0.5982 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8065   -0.3918   -0.1876 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8529    0.5204    0.5008 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3559    1.8369    0.4081 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4721    0.5213   -0.2107 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3219    1.3716    0.5353 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9269    2.6165   -0.4037 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.9786    2.1496   -1.8402 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4793    2.9993    0.1391 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9806    4.0226   -0.2416 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0472   -0.8561   -0.1253 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2498   -0.7982   -0.8622 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6054   -0.9851    0.0641 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.3996   -0.7205    1.5295 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7696    0.1479   -0.4758 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2518   -2.5235   -0.2133 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1544   -1.9393   -0.6041 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5220   -3.1152    0.0960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2889   -1.7500   -0.4962 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8474   -2.6359    0.4596 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4158   -0.0905   -1.9889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2937   -0.0536    1.8405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1188    0.1289   -1.1414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6865    0.2375    1.5381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7053    2.1618    1.2611 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4122    0.8879   -1.2432 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8157    3.7978   -0.3642 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5276    4.8354   -0.3707 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3597   -1.0213    0.9400 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5126    0.2147    0.1616 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5919   -3.1520   -0.5472 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4638   -2.1652   -1.6689 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5246   -2.9327    1.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7801   -2.0827   -1.4605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6659   -2.3047    1.3740 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
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
  9 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 17 20  1  0
 15 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 23  6  1  0
  3 25  1  0
  4 26  1  0
  6 27  1  6
  7 28  1  1
  8 29  1  0
  9 30  1  6
 13 31  1  0
 14 32  1  0
 15 33  1  1
 19 34  1  0
 20 35  1  0
 21 36  1  6
 22 37  1  0
 23 38  1  6
 24 39  1  0
M  END

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  O   UNK     0       0.663   3.076   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0       3.329   1.539   0.000  0.00  0.00           O+0
HETATM    3  P   UNK     0       1.994   3.846   0.000  0.00  0.00           P+0
HETATM    4  O   UNK     0       1.228   5.177   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0       3.333   3.072   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0       2.765   5.177   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       0.666  -1.538   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.000  -0.767   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.000   0.772   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.666   1.543   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.668   0.772   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.668  -0.767   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -2.009   1.515   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      -2.008  -3.073   0.000  0.00  0.00           O+0
HETATM   15  P   UNK     0      -0.675  -3.845   0.000  0.00  0.00           P+0
HETATM   16  O   UNK     0      -1.442  -5.177   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       0.666  -3.069   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       0.097  -5.177   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -3.331   0.776   0.000  0.00  0.00           O+0
HETATM   20  P   UNK     0      -3.332  -0.764   0.000  0.00  0.00           P+0
HETATM   21  O   UNK     0      -4.870  -0.765   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -1.990  -1.537   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -4.101  -2.099   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       3.329  -1.531   0.000  0.00  0.00           O+0
CONECT    1    3   10                                                       
CONECT    2    9                                                            
CONECT    3    1    4    5    6                                             
CONECT    4    3                                                            
CONECT    5    3                                                            
CONECT    6    3                                                            
CONECT    7    8   12   17                                                  
CONECT    8    7    9   24                                                  
CONECT    9    8   10    2                                                  
CONECT   10    9   11    1                                                  
CONECT   11   10   12   13                                                  
CONECT   12    7   11   22                                                  
CONECT   13   11                                                            
CONECT   14   15                                                            
CONECT   15   14   16   17   18                                             
CONECT   16   15                                                            
CONECT   17   15    7                                                       
CONECT   18   15                                                            
CONECT   19   20                                                            
CONECT   20   19   21   22   23                                             
CONECT   21   20                                                            
CONECT   22   20   12                                                       
CONECT   23   20                                                            
CONECT   24    8                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   48    0
END

COMPND    HMDB0001498
HETATM    1  O1  UNL     1      -4.061   1.722  -0.429  1.00  0.00           O  
HETATM    2  P1  UNL     1      -4.289   0.246  -0.143  1.00  0.00           P  
HETATM    3  O2  UNL     1      -4.637  -0.567  -1.587  1.00  0.00           O  
HETATM    4  O3  UNL     1      -5.603   0.114   0.907  1.00  0.00           O  
HETATM    5  O4  UNL     1      -2.959  -0.447   0.598  1.00  0.00           O  
HETATM    6  C1  UNL     1      -1.807  -0.392  -0.188  1.00  0.00           C  
HETATM    7  C2  UNL     1      -0.853   0.520   0.501  1.00  0.00           C  
HETATM    8  O5  UNL     1      -1.356   1.837   0.408  1.00  0.00           O  
HETATM    9  C3  UNL     1       0.472   0.521  -0.211  1.00  0.00           C  
HETATM   10  O6  UNL     1       1.322   1.372   0.535  1.00  0.00           O  
HETATM   11  P2  UNL     1       1.927   2.617  -0.404  1.00  0.00           P  
HETATM   12  O7  UNL     1       1.979   2.150  -1.840  1.00  0.00           O  
HETATM   13  O8  UNL     1       3.479   2.999   0.139  1.00  0.00           O  
HETATM   14  O9  UNL     1       0.981   4.023  -0.242  1.00  0.00           O  
HETATM   15  C4  UNL     1       1.047  -0.856  -0.125  1.00  0.00           C  
HETATM   16  O10 UNL     1       2.250  -0.798  -0.862  1.00  0.00           O  
HETATM   17  P3  UNL     1       3.605  -0.985   0.064  1.00  0.00           P  
HETATM   18  O11 UNL     1       3.400  -0.721   1.530  1.00  0.00           O  
HETATM   19  O12 UNL     1       4.770   0.148  -0.476  1.00  0.00           O  
HETATM   20  O13 UNL     1       4.252  -2.523  -0.213  1.00  0.00           O  
HETATM   21  C5  UNL     1       0.154  -1.939  -0.604  1.00  0.00           C  
HETATM   22  O14 UNL     1       0.522  -3.115   0.096  1.00  0.00           O  
HETATM   23  C6  UNL     1      -1.289  -1.750  -0.496  1.00  0.00           C  
HETATM   24  O15 UNL     1      -1.847  -2.636   0.460  1.00  0.00           O  
HETATM   25  H1  UNL     1      -5.416  -0.091  -1.989  1.00  0.00           H  
HETATM   26  H2  UNL     1      -5.294  -0.054   1.840  1.00  0.00           H  
HETATM   27  H3  UNL     1      -2.119   0.129  -1.141  1.00  0.00           H  
HETATM   28  H4  UNL     1      -0.686   0.238   1.538  1.00  0.00           H  
HETATM   29  H5  UNL     1      -1.705   2.162   1.261  1.00  0.00           H  
HETATM   30  H6  UNL     1       0.412   0.888  -1.243  1.00  0.00           H  
HETATM   31  H7  UNL     1       3.816   3.798  -0.364  1.00  0.00           H  
HETATM   32  H8  UNL     1       1.528   4.835  -0.371  1.00  0.00           H  
HETATM   33  H9  UNL     1       1.360  -1.021   0.940  1.00  0.00           H  
HETATM   34  H10 UNL     1       5.513   0.215   0.162  1.00  0.00           H  
HETATM   35  H11 UNL     1       3.592  -3.152  -0.547  1.00  0.00           H  
HETATM   36  H12 UNL     1       0.464  -2.165  -1.669  1.00  0.00           H  
HETATM   37  H13 UNL     1       0.525  -2.933   1.087  1.00  0.00           H  
HETATM   38  H14 UNL     1      -1.780  -2.083  -1.461  1.00  0.00           H  
HETATM   39  H15 UNL     1      -1.666  -2.305   1.374  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4    5
CONECT    3   25
CONECT    4   26
CONECT    5    6
CONECT    6    7   23   27
CONECT    7    8    9   28
CONECT    8   29
CONECT    9   10   15   30
CONECT   10   11
CONECT   11   12   12   13   14
CONECT   13   31
CONECT   14   32
CONECT   15   16   21   33
CONECT   16   17
CONECT   17   18   18   19   20
CONECT   19   34
CONECT   20   35
CONECT   21   22   23   36
CONECT   22   37
CONECT   23   24   38
CONECT   24   39
END

HMDB0001498
     RDKit          3D
myo-Inositol 1,4,5-trisphosphate
 39 39  0  0  0  0  0  0  0  0999 V2000
   -4.0612    1.7223   -0.4293 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2889    0.2461   -0.1430 P   0  0  0  0  0  5  0  0  0  0  0  0
   -4.6370   -0.5673   -1.5874 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6035    0.1135    0.9073 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9592   -0.4466    0.5982 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8065   -0.3918   -0.1876 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8529    0.5204    0.5008 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3559    1.8369    0.4081 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4721    0.5213   -0.2107 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3219    1.3716    0.5353 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9269    2.6165   -0.4037 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.9786    2.1496   -1.8402 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4793    2.9993    0.1391 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9806    4.0226   -0.2416 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0472   -0.8561   -0.1253 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2498   -0.7982   -0.8622 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6054   -0.9851    0.0641 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.3996   -0.7205    1.5295 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7696    0.1479   -0.4758 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2518   -2.5235   -0.2133 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1544   -1.9393   -0.6041 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5220   -3.1152    0.0960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2889   -1.7500   -0.4962 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8474   -2.6359    0.4596 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4158   -0.0905   -1.9889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2937   -0.0536    1.8405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1188    0.1289   -1.1414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6865    0.2375    1.5381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7053    2.1618    1.2611 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4122    0.8879   -1.2432 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8157    3.7978   -0.3642 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5276    4.8354   -0.3707 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3597   -1.0213    0.9400 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5126    0.2147    0.1616 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5919   -3.1520   -0.5472 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4638   -2.1652   -1.6689 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5246   -2.9327    1.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7801   -2.0827   -1.4605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6659   -2.3047    1.3740 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
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
  9 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 17 20  1  0
 15 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 23  6  1  0
  3 25  1  0
  4 26  1  0
  6 27  1  6
  7 28  1  1
  8 29  1  0
  9 30  1  6
 13 31  1  0
 14 32  1  0
 15 33  1  1
 19 34  1  0
 20 35  1  0
 21 36  1  6
 22 37  1  0
 23 38  1  6
 24 39  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
1,4,5-Insp3	ChEBI
D-Myo-inositol 1,4,5-trisphosphate	ChEBI
D-MYO-inositol-1,4,5-triphosphATE	ChEBI
Ins(1,4,5)P3	ChEBI
InsP3	ChEBI
IP3	ChEBI
1D-Myo-inositol 1,4,5-trisphosphate	Kegg
D-Myo-inositol 1,4,5-trisphosphoric acid	Generator
D-MYO-inositol-1,4,5-triphosphoric acid	Generator
1D-Myo-inositol 1,4,5-trisphosphoric acid	Generator
Inositol 1,4,5-trisphosphoric acid	Generator
Myo-inositol 1,4,5-trisphosphate	HMDB
1,4,5-IP3	HMDB
Inositol 1,4,5-triphosphate	HMDB
Myoinositol 1,4,5-triphosphate	HMDB
D-myo-Inositol 1,4,5-triphosphate	HMDB
IP 3	HMDB
Inositol 1,4,5-trisphosphate	HMDB
Inositol triphosphate	HMDB
Inositol trisphosphate	HMDB
Triphosphoinositol	HMDB
myo-Inositol 1,4,5-triphosphate	HMDB
myo-Inositol triphosphate	HMDB
myo-Inositol trisphosphate	HMDB

Chemical Formula

C₆H₁₅O₁₅P₃

Average Molecular Weight

420.0956

Monoisotopic Molecular Weight

419.962379346

IUPAC Name

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

Traditional Name

InsP3

CAS Registry Number

85166-31-0

SMILES

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

InChI Identifier

InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3+,4-,5-,6-/m1/s1

InChI Key

MMWCIQZXVOZEGG-XJTPDSDZSA-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 trisphosphate (CHEBI:16595 )

Ontology

Not Available

Platelet (HMDB: HMDB0001498)

Tissue substructure

Epidermis (HMDB: HMDB0001498)

Cell

Nerve cell (HMDB: HMDB0001498)
Neuron (HMDB: HMDB0001498)

Hematocyte

Platelet (HMDB: HMDB0001498)

Tissue

Epithelium

Epidermis (HMDB: HMDB0001498)

Organ

Pancreas (HMDB: HMDB0001498)
Spleen (HMDB: HMDB0001498)

Cellular substructure

Cytoplasm (HMDB: HMDB0001498)
Nucleus (HMDB: HMDB0001498)

Source

Endogenous

Endogenous (HMDB: HMDB0001498)

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)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Inositol Metabolism (HMDB: HMDB0001498)
Inositol Phosphate Metabolism (HMDB: HMDB0001498)
Phosphatidylinositol Phosphate Metabolism (HMDB: HMDB0001498)
Inositol Phosphate Metabolism (PathBank: SMP0002394)
Inositol Metabolism (PathBank: SMP0002397)
D-myo-Inositol (1,4,5)-Trisphosphate Biosynthesis (PathBank: SMP0012029)

Acebutolol Action Pathway (HMDB: HMDB0001498)

Protein pathway

Fc Epsilon Receptor I Signaling in Mast Cells (PathBank: SMP0000358)
Lysophosphatidic Acid LPA1 Signalling (PathBank: SMP0063746)
Lysophosphatidic Acid LPA2 Signalling (PathBank: SMP0063753)
Lysophosphatidic Acid LPA3 Signalling (PathBank: SMP0063755)
Lysophosphatidic Acid LPA4 Signalling (PathBank: SMP0063756)
Lysophosphatidic Acid LPA5 Signalling (PathBank: SMP0063757)
Nitric Oxide Signaling Pathway (PathBank: SMP0063777)
EGF Signalling Pathway (PathBank: SMP0063810)
T Cell Receptor Signaling Pathway (PathBank: SMP0066977)
BCR Signaling Pathway (PathBank: SMP0069871)
G-Protein Signaling Through Tubby Proteins (PathBank: SMP0089843)
Ion Channel and Phorbal Esters Signaling Pathway (PathBank: SMP0090032)

Disease pathway

Joubert Syndrome (PathBank: SMP0000582)

Signaling pathway

Activation of PKC Through G Protein-Coupled Receptor (PathBank: SMP0000749)
Histamine H1 Receptor Activation (PathBank: SMP0063452)

Drug action pathway

Chlorphenamine H1-Antihistamine Action (PathBank: SMP0056661)
Pheniramine H1-Antihistamine Action (PathBank: SMP0056662)
Dexchlorpheniramine H1-Antihistamine Action (PathBank: SMP0056811)
Brompheniramine H1-Antihistamine Action (PathBank: SMP0057579)
Dexbrompheniramine H1-Antihistamine Action (PathBank: SMP0057580)
Triprolidine H1-Antihistamine Action (PathBank: SMP0057581)
Dimetindene H1-Antihistamine Action (PathBank: SMP0057582)
Mepyramine H1-Antihistamine Action (PathBank: SMP0057583)
Antazoline H1-Antihistamine Action (PathBank: SMP0057584)
Chloropyramine H1-Antihistamine Action (PathBank: SMP0057585)
Talastine H1-Antihistamine Action (PathBank: SMP0057586)
Tripelennamine H1-Antihistamine Action (PathBank: SMP0057587)
Histapyrrodine H1-Antihistamine Action (PathBank: SMP0058732)
Methapyrilene H1-Antihistamine Action (PathBank: SMP0058741)
Thonzylamine H1-Antihistamine Action (PathBank: SMP0058769)
Diphenhydramine H1-Antihistamine Action (PathBank: SMP0058785)
Carbinoxamine H1-Antihistamine Action (PathBank: SMP0058797)
Doxylamine H1-Antihistamine Action (PathBank: SMP0058803)
Orphenadrine H1-Antihistamine Action (PathBank: SMP0058808)
Bromodiphenhydramine H1-Antihistamine Action (PathBank: SMP0058813)
Clemastine H1-Antihistamine Action (PathBank: SMP0058891)
Chlorphenoxamine H1-Antihistamine Action (PathBank: SMP0058903)
Diphenylpyraline H1-Antihistamine Action (PathBank: SMP0058908)
Phenyltoloxamine H1-Antihistamine Action (PathBank: SMP0058916)
Cyclizine H1-Antihistamine Action (PathBank: SMP0058923)
Chlorcyclizine H1-Antihistamine Action (PathBank: SMP0058931)
Hydroxyzine H1-Antihistamine Action (PathBank: SMP0058936)
Meclizine H1-Antihistamine Action (PathBank: SMP0058956)
Buclizine H1-Antihistamine Action (PathBank: SMP0058964)
Oxatomide H1-Antihistamine Action (PathBank: SMP0059044)
Cetirizine H1-Antihistamine Action (PathBank: SMP0059058)
Cinnarizine H1-Antihistamine Action (PathBank: SMP0059110)
Levocetirizine H1-Antihistamine Action (PathBank: SMP0059114)
Promethazine H1-Antihistamine Action (PathBank: SMP0059211)
Alimemazine H1-Antihistamine Action (PathBank: SMP0059689)
Cyproheptadine H1-Antihistamine Action (PathBank: SMP0059694)
Phenbenzamine H1-Antihistamine Action (PathBank: SMP0059702)
Fenethazine H1-Antihistamine Action (PathBank: SMP0059707)
Hydroxyethylpromethazine H1-Antihistamine Action (PathBank: SMP0059710)
Isothipendyl H1-Antihistamine Action (PathBank: SMP0059716)
Mequitazine H1-Antihistamine Action (PathBank: SMP0059720)
Methdilazine H1-Antihistamine Action (PathBank: SMP0059730)
Oxomemazine H1-Antihistamine Action (PathBank: SMP0059738)
Azatadine H1-Antihistamine Action (PathBank: SMP0059865)
Ketotifen H1-Antihistamine Action (PathBank: SMP0059868)
Doxepin H1-Antihistamine Action (PathBank: SMP0059872)
Acrivastine H1-Antihistamine Action (PathBank: SMP0059881)
Astemizole H1-Antihistamine Action (PathBank: SMP0059897)
Bepotastine H1-Antihistamine Action (PathBank: SMP0060058)
Bilastine H1-Antihistamine Action (PathBank: SMP0060170)
Loratadine H1-Antihistamine Action (PathBank: SMP0060195)
Desloratadine H1-Antihistamine Action (PathBank: SMP0060201)
Ebastine H1-Antihistamine Action (PathBank: SMP0060204)
Terfenadine H1-Antihistamine Action (PathBank: SMP0060208)
Fexofenadine H1-Antihistamine Action (PathBank: SMP0060218)
Levocabastine H1-Antihistamine Action (PathBank: SMP0060224)
Mizolastine H1-Antihistamine Action (PathBank: SMP0060230)
Rupatadine H1-Antihistamine Action (PathBank: SMP0060235)
Olopatadine H1-Antihistamine Action (PathBank: SMP0060740)
Azelastine H1-Antihistamine Action (PathBank: SMP0060741)
Thiazinamium H1-Antihistamine Action (PathBank: SMP0060742)
Quifenadine H1-Antihistamine Action (PathBank: SMP0060743)
Betahistine H1-Antihistamine Action (PathBank: SMP0060744)
Emedastine H1-Antihistamine Action (PathBank: SMP0061040)
Flunarizine H1-Antihistamine Action (PathBank: SMP0061047)
Mebhydrolin H1-Antihistamine Action (PathBank: SMP0061052)
Phenindamine H1-Antihistamine Action (PathBank: SMP0061190)
Epinastine H1-Antihistamine Action (PathBank: SMP0061191)
Tolpropamine H1-Antihistamine Action (PathBank: SMP0062621)
Embramine H1-Antihistamine Action (PathBank: SMP0062622)
Latrepirdine H1-Antihistamine Action (PathBank: SMP0062623)
Thenyldiamine H1-Antihistamine Action (PathBank: SMP0062624)
Propiomazine H1-Antihistamine Action (PathBank: SMP0062625)
Clocinizine H1-Antihistamine Action (PathBank: SMP0062788)
Homochlorcyclizine H1-Antihistamine Action (PathBank: SMP0062795)
Temelastine H1-Antihistamine Action (PathBank: SMP0062880)
Alcaftadine H1-Antihistamine Action (PathBank: SMP0062881)
Bamipine H1-Antihistamine Action (PathBank: SMP0062882)
Deptropine H1-Antihistamine Action (PathBank: SMP0062883)
Quetiapine H1-Antihistamine Action (PathBank: SMP0062884)
Mirtazapine H1-Antihistamine Action (PathBank: SMP0062885)
Pimethixene H1-Antihistamine Action (PathBank: SMP0062886)
Pyrrobutamine H1-Antihistamine Action (PathBank: SMP0062887)
Thenalidine H1-Antihistamine Action (PathBank: SMP0062894)
Tritoqualine H1-Antihistamine Action (PathBank: SMP0062895)

Physiological pathway

Muscle/Heart Contraction (PathBank: SMP0119370)

Role

Biological role

Molecular messenger

Second messenger (HMDB: HMDB0001498)

Industrial application

Pharmaceutical industry

Pharmaceutical (HMDB: HMDB0001498)

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	14.8 g/L	ALOGPS
logP	-0.86	ALOGPS
logP	-4.2	ChemAxon
logS	-1.4	ALOGPS
pKa (Strongest Acidic)	0.54	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-6	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	260.97 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	68.39 m³·mol⁻¹	ChemAxon
Polarizability	29.61 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	189.992	31661259
DarkChem	[M-H]-	182.803	31661259
AllCCS	[M+H]+	183.157	32859911
AllCCS	[M-H]-	168.564	32859911
DeepCCS	[M+H]+	158.035	30932474
DeepCCS	[M-H]-	155.638	30932474
DeepCCS	[M-2H]-	188.521	30932474
DeepCCS	[M+Na]+	164.192	30932474
AllCCS	[M+H]+	183.2	32859911
AllCCS	[M+H-H2O]+	180.8	32859911
AllCCS	[M+NH4]+	185.3	32859911
AllCCS	[M+Na]+	186.0	32859911
AllCCS	[M-H]-	168.6	32859911
AllCCS	[M+Na-2H]-	168.5	32859911
AllCCS	[M+HCOO]-	168.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
myo-Inositol 1,4,5-trisphosphate	O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(O)=O	3125.6	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate	O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(O)=O	2687.1	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate	O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(O)=O	3536.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
myo-Inositol 1,4,5-trisphosphate,1TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1O	2878.0	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,1TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O	2881.8	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,1TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O	2890.3	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,1TMS,isomer #4	C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@H]1OP(=O)(O)O	2988.2	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,1TMS,isomer #5	C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](O)[C@H](OP(=O)(O)O)[C@H](O)[C@H](O)[C@H]1OP(=O)(O)O	2987.4	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,1TMS,isomer #6	C[Si](C)(C)OP(=O)(O)O[C@H]1[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]1O	2985.7	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,2TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O	2846.5	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,2TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O	2919.2	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,2TMS,isomer #11	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2917.4	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,2TMS,isomer #12	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2918.3	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,2TMS,isomer #13	C[Si](C)(C)OP(=O)(O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@H]1OP(=O)(O)O)O[Si](C)(C)C	2954.9	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,2TMS,isomer #14	C[Si](C)(C)OP(=O)(O)O[C@H]1[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	3008.5	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,2TMS,isomer #15	C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@H]1OP(=O)(O)O[Si](C)(C)C	3005.4	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,2TMS,isomer #16	C[Si](C)(C)OP(=O)(O[C@@H]1[C@@H](O)[C@H](OP(=O)(O)O)[C@H](O)[C@H](O)[C@H]1OP(=O)(O)O)O[Si](C)(C)C	2958.0	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,2TMS,isomer #17	C[Si](C)(C)OP(=O)(O)O[C@H]1[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]1O	3009.7	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,2TMS,isomer #18	C[Si](C)(C)OP(=O)(O[C@H]1[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]1O)O[Si](C)(C)C	2955.7	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,2TMS,isomer #2	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](OP(=O)(O)O)[C@@H]1OP(=O)(O)O	2852.3	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,2TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1O	2910.4	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,2TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@H]1O	2910.3	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,2TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O	2910.1	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,2TMS,isomer #6	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](OP(=O)(O)O)[C@@H]1OP(=O)(O)O	2848.0	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,2TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O	2912.7	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,2TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2912.2	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,2TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2914.8	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,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[Si](C)(C)C)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O	2820.7	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,3TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O	2933.6	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,3TMS,isomer #11	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@H]1O	2904.2	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,3TMS,isomer #12	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O	2932.8	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,3TMS,isomer #13	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	2904.2	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,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[Si](C)(C)C)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O	2867.9	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,3TMS,isomer #15	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2868.8	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,3TMS,isomer #16	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](OP(=O)(O)O)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2870.9	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,3TMS,isomer #17	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O	2905.4	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,3TMS,isomer #18	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2935.8	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,3TMS,isomer #19	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2940.8	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,3TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C	2866.0	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,3TMS,isomer #20	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2907.8	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,3TMS,isomer #21	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2938.5	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,3TMS,isomer #22	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2913.3	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,3TMS,isomer #23	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O	2919.0	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,3TMS,isomer #24	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2948.7	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,3TMS,isomer #25	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2951.4	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,3TMS,isomer #26	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@H](O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2919.3	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,3TMS,isomer #27	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2948.8	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,3TMS,isomer #28	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2921.4	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,3TMS,isomer #29	C[Si](C)(C)OP(=O)(O)O[C@H]1[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	3002.8	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,3TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2861.7	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,3TMS,isomer #30	C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](O)[C@H](OP(=O)(O)O)[C@H](O)[C@H](O)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3000.8	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,3TMS,isomer #31	C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H]1OP(=O)(O)O	3001.2	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,3TMS,isomer #32	C[Si](C)(C)OP(=O)(O)O[C@H]1[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	3034.9	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,3TMS,isomer #33	C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3002.5	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,3TMS,isomer #34	C[Si](C)(C)OP(=O)(O)O[C@H]1[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]1O	3009.3	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,3TMS,isomer #35	C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1OP(=O)(O)O	3004.6	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,3TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2865.9	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,3TMS,isomer #5	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](OP(=O)(O)O)[C@@H]1OP(=O)(O)O	2866.8	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,3TMS,isomer #6	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2866.4	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,3TMS,isomer #7	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](OP(=O)(O)O)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2870.8	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,3TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1O	2905.7	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,3TMS,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](OP(=O)(O)O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@H]1O	2934.2	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,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](OP(=O)(O)O)[C@@H]1OP(=O)(O)O	2859.3	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,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](OP(=O)(O)O)[C@@H]1OP(=O)(O)O	3019.0	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,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](OP(=O)(O)O)[C@@H]1OP(=O)(O)O	4507.7	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #10	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](OP(=O)(O)O)[C@@H]1OP(=O)(O)O	2869.9	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #10	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](OP(=O)(O)O)[C@@H]1OP(=O)(O)O	3067.0	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #10	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](OP(=O)(O)O)[C@@H]1OP(=O)(O)O	4371.2	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #11	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2901.6	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #11	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	3037.1	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #11	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	4382.7	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #12	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2903.3	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #12	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O[Si](C)(C)C	3038.7	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #12	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O[Si](C)(C)C	4382.8	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #13	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2872.2	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #13	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	3065.5	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #13	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	4369.6	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #14	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2904.3	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #14	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	3037.7	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #14	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	4382.3	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,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)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2874.6	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,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)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3065.5	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,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)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4367.4	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #16	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@H]1O	2919.7	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #16	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@H]1O	3098.1	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #16	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@H]1O	4244.7	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #17	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O	2918.9	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #17	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O	3097.4	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #17	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O	4244.8	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #18	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@H]1O	2921.0	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #18	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@H]1O	3097.7	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #18	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@H]1O	4244.9	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #19	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O	2956.0	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #19	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O	3064.5	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #19	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O	4264.3	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #2	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2859.1	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #2	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	3018.7	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #2	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	4506.6	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #20	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	2920.0	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #20	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	3097.1	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #20	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	4245.3	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #21	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O	2922.6	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #21	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O	3097.1	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #21	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O	4245.1	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #22	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	2922.5	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #22	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	3097.2	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #22	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	4245.4	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #23	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O	2872.7	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #23	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O	3079.0	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #23	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O	4377.4	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #24	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2905.4	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #24	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	3048.2	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #24	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	4387.3	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #25	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2907.4	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #25	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O[Si](C)(C)C	3048.5	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #25	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O[Si](C)(C)C	4388.6	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #26	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2872.3	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #26	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	3077.6	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #26	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	4370.0	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #27	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2907.4	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #27	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	3048.6	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #27	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	4386.7	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #28	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](OP(=O)(O)O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2876.7	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #28	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](OP(=O)(O)O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3077.3	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #28	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](OP(=O)(O)O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4373.5	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #29	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2924.7	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #29	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	3098.4	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #29	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	4254.8	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2858.7	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	3018.5	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	4506.8	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #30	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](OP(=O)(O)O)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2925.3	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #30	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](OP(=O)(O)O)[C@@H]1OP(=O)(O)O[Si](C)(C)C	3096.8	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #30	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](OP(=O)(O)O)[C@@H]1OP(=O)(O)O[Si](C)(C)C	4255.1	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #31	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2928.8	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #31	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	3097.6	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #31	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	4252.9	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #32	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2965.0	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #32	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	3061.8	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #32	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	4271.5	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #33	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2930.3	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #33	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3094.5	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #33	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4251.7	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #34	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2931.1	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #34	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	3097.3	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #34	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	4252.2	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #35	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2931.2	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #35	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3096.2	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #35	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4250.7	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #36	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2926.0	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #36	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	3092.4	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #36	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	4303.7	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #37	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2926.7	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #37	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O[Si](C)(C)C	3091.9	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #37	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O[Si](C)(C)C	4303.2	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #38	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2927.5	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #38	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	3092.4	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #38	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	4303.7	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #39	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2965.9	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #39	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	3058.4	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #39	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	4321.1	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2904.7	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O[Si](C)(C)C	3048.0	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O[Si](C)(C)C	4383.8	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #40	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2928.9	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #40	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3091.3	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #40	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4300.8	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #41	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@H](O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2929.4	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #41	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@H](O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	3091.1	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #41	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@H](O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	4303.3	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #42	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2929.6	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #42	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3091.0	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #42	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4300.8	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #43	C[Si](C)(C)OP(=O)(O[C@H]1[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O)O[Si](C)(C)C	2958.9	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #43	C[Si](C)(C)OP(=O)(O[C@H]1[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O)O[Si](C)(C)C	3151.0	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #43	C[Si](C)(C)OP(=O)(O[C@H]1[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O)O[Si](C)(C)C	4165.7	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #44	C[Si](C)(C)OP(=O)(O)O[C@H]1[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	3004.8	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #44	C[Si](C)(C)OP(=O)(O)O[C@H]1[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	3096.0	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #44	C[Si](C)(C)OP(=O)(O)O[C@H]1[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	4185.4	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #45	C[Si](C)(C)OP(=O)(O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2965.4	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #45	C[Si](C)(C)OP(=O)(O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	3148.8	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #45	C[Si](C)(C)OP(=O)(O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	4165.4	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #46	C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H]1OP(=O)(O)O[Si](C)(C)C	3004.3	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #46	C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H]1OP(=O)(O)O[Si](C)(C)C	3097.2	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #46	C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H]1OP(=O)(O)O[Si](C)(C)C	4185.4	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #47	C[Si](C)(C)OP(=O)(O)O[C@H]1[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	3009.0	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #47	C[Si](C)(C)OP(=O)(O)O[C@H]1[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	3097.1	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #47	C[Si](C)(C)OP(=O)(O)O[C@H]1[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	4185.0	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #48	C[Si](C)(C)OP(=O)(O[C@H]1[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]1O)O[Si](C)(C)C	2967.5	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #48	C[Si](C)(C)OP(=O)(O[C@H]1[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]1O)O[Si](C)(C)C	3152.4	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #48	C[Si](C)(C)OP(=O)(O[C@H]1[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]1O)O[Si](C)(C)C	4164.9	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C	2902.0	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C	3045.9	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C	4384.0	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2871.6	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3076.7	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4369.7	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2870.6	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	3075.2	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	4371.7	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2902.6	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	3045.9	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	4383.8	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2872.1	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3077.1	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,4TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4368.9	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,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](OP(=O)(O)O)[C@@H]1OP(=O)(O)O	2885.1	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,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](OP(=O)(O)O)[C@@H]1OP(=O)(O)O	3019.1	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,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](OP(=O)(O)O)[C@@H]1OP(=O)(O)O	4219.6	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C	2931.1	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C	3042.8	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C	4119.1	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2929.2	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3043.7	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4117.2	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #12	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2933.5	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #12	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	3042.8	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #12	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	4119.0	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #13	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2930.5	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #13	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3043.4	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #13	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4116.8	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #14	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2924.5	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #14	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	3031.2	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #14	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	4117.6	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #15	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](OP(=O)(O)O)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2925.7	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #15	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](OP(=O)(O)O)[C@@H]1OP(=O)(O)O[Si](C)(C)C	3033.8	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #15	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](OP(=O)(O)O)[C@@H]1OP(=O)(O)O[Si](C)(C)C	4117.4	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #16	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2927.4	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #16	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	3030.7	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #16	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	4116.8	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #17	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2962.4	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #17	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	3006.6	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #17	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	4135.2	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #18	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](OP(=O)(O)O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2927.0	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #18	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](OP(=O)(O)O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3033.7	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #18	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](OP(=O)(O)O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4115.0	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #19	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2930.0	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #19	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	3030.9	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #19	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	4116.4	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #2	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2916.3	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #2	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2994.4	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #2	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	4231.5	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #20	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2927.9	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #20	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3031.2	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #20	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4114.8	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #21	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@H]1O	2948.0	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #21	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@H]1O	3094.5	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #21	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@H]1O	3996.0	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #22	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O	2978.1	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #22	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O	3058.7	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #22	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O	4017.8	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #23	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](OP(=O)(O)O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	2948.5	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #23	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](OP(=O)(O)O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	3093.9	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #23	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](OP(=O)(O)O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	3996.5	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #24	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O	2978.9	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #24	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O	3058.3	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #24	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O	4018.0	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #25	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	2979.2	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #25	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	3058.2	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #25	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	4018.4	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #26	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	2949.9	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #26	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	3093.5	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #26	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	3996.8	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #27	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2928.5	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #27	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	3046.6	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #27	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	4121.9	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #28	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](OP(=O)(O)O)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2932.3	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #28	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](OP(=O)(O)O)[C@@H]1OP(=O)(O)O[Si](C)(C)C	3047.1	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #28	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](OP(=O)(O)O)[C@@H]1OP(=O)(O)O[Si](C)(C)C	4123.1	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #29	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2929.5	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #29	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	3046.9	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #29	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	4116.8	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C	2916.3	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C	2994.5	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C	4231.6	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #30	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2964.5	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #30	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	3021.3	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #30	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	4138.8	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #31	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](OP(=O)(O)O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2934.4	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #31	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](OP(=O)(O)O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3047.5	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #31	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](OP(=O)(O)O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4120.3	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #32	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2931.9	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #32	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	3047.9	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #32	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	4116.4	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #33	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2932.3	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #33	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3047.9	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #33	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4118.4	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #34	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2954.7	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #34	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	3089.6	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #34	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	4004.5	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #35	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2985.1	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #35	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	3054.1	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #35	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	4025.9	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #36	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](OP(=O)(O)O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2955.0	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #36	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](OP(=O)(O)O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3090.2	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #36	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](OP(=O)(O)O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4003.7	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #37	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2990.2	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #37	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	3054.5	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #37	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	4024.1	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #38	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2990.4	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #38	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3053.4	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #38	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4023.2	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #39	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2961.6	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #39	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3092.4	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #39	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4001.3	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #4	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2885.2	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #4	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	3017.7	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #4	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	4217.7	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #40	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2932.7	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #40	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	3086.9	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #40	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	4056.2	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #41	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2963.2	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #41	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	3052.7	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #41	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	4075.4	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #42	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2933.1	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #42	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3088.6	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #42	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4053.8	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #43	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2965.1	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #43	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	3052.2	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #43	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	4075.6	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #44	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2964.0	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #44	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3051.8	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #44	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4073.6	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #45	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@H](O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2933.6	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #45	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@H](O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3087.4	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #45	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@H](O)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4054.0	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #46	C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2992.3	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #46	C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3096.1	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #46	C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](O)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3956.5	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #47	C[Si](C)(C)OP(=O)(O)O[C@H]1[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	2996.6	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #47	C[Si](C)(C)OP(=O)(O)O[C@H]1[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	3096.5	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #47	C[Si](C)(C)OP(=O)(O)O[C@H]1[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	3956.2	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #48	C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2994.9	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #48	C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3097.2	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #48	C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3956.2	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #5	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2916.1	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #5	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2993.0	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #5	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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	4230.7	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2885.5	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	3017.2	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	4218.2	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2930.2	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3047.1	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4116.6	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2964.0	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	3017.9	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	4136.8	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2930.3	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3046.9	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,5TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4116.4	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,6TMS,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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	2927.1	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,6TMS,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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	3008.7	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,6TMS,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](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	3983.8	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,6TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2970.8	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,6TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	3021.8	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,6TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	3908.5	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,6TMS,isomer #11	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2969.4	Semi standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,6TMS,isomer #11	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3022.3	Standard non polar	33892256
myo-Inositol 1,4,5-trisphosphate,6TMS,isomer #11	C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3907.6	Standard polar	33892256
myo-Inositol 1,4,5-trisphosphate,6TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O[Si](

Showing metabocard for myo-Inositol 1,4,5-trisphosphate (HMDB0001498)

MOL for HMDB0001498 (myo-Inositol 1,4,5-trisphosphate)

3D MOL for HMDB0001498 (myo-Inositol 1,4,5-trisphosphate)

3D SDF for HMDB0001498 (myo-Inositol 1,4,5-trisphosphate)

3D-SDF for HMDB0001498 (myo-Inositol 1,4,5-trisphosphate)

PDB for HMDB0001498 (myo-Inositol 1,4,5-trisphosphate)

3D PDB for HMDB0001498 (myo-Inositol 1,4,5-trisphosphate)

SMILES for HMDB0001498 (myo-Inositol 1,4,5-trisphosphate)

INCHI for HMDB0001498 (myo-Inositol 1,4,5-trisphosphate)

Structure for HMDB0001498 (myo-Inositol 1,4,5-trisphosphate)

3D Structure for HMDB0001498 (myo-Inositol 1,4,5-trisphosphate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized