Hmdb loader

Showing metabocard for inositol 1,3,4,5,6-pentakisphosphate (HMDB0253492)

Jump To Section:
IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (1) Show 1 proteinXML
enzymes (1) Show 1 protein
Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 11:58:38 UTC
Update Date2021-09-26 23:06:45 UTC
HMDB IDHMDB0253492
Secondary Accession NumbersNone
Metabolite Identification
Common Nameinositol 1,3,4,5,6-pentakisphosphate
Description{[2-hydroxy-3,4,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy}phosphonic acid belongs to the class of organic compounds known as inositol phosphates. Inositol phosphates are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety. Based on a literature review very few articles have been published on {[2-hydroxy-3,4,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy}phosphonic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). Inositol 1,3,4,5,6-pentakisphosphate is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically inositol 1,3,4,5,6-pentakisphosphate is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
Thumb
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0253492 (inositol 1,3,4,5,6-pentakisphosphate)


  Mrv1652309112113582D          

 32 32  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    1.5395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -2.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -0.9355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
  4 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
  3 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
  2 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
  1 32  1  0  0  0  0
M  END
Download

3D MOL for HMDB0253492 (inositol 1,3,4,5,6-pentakisphosphate)

HMDB0253492
     RDKit          3D
inositol 1,3,4,5,6-pentakisphosphate
 49 49  0  0  0  0  0  0  0  0999 V2000
    3.8191    3.7726   -1.3352 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0139    2.5158   -1.5564 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.6524    2.9473   -2.4623 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8867    1.3512   -2.4180 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5114    1.8529   -0.0974 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3197    1.2036   -0.1811 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2503    1.7161    0.7410 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2392    3.0732    0.9018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0696    1.1890    0.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1371    1.7324    0.8261 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0754    2.6674   -0.2496 P   0  0  0  0  0  5  0  0  0  0  0  0
   -2.2455    3.1925   -1.3864 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3193    1.6488   -0.8084 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7354    3.9915    0.5563 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0755   -0.3101    0.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2761   -0.7685    1.5167 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7164   -1.6536    1.6739 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.5566   -1.5552    0.4177 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3849   -3.2884    1.9655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5903   -1.0671    2.9929 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1412   -0.8892   -0.4316 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1201   -2.2719   -0.3111 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0158   -2.9990   -1.8264 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.2331   -1.9934   -2.9314 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1979   -4.2065   -2.0026 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5233   -3.7202   -2.0132 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4211   -0.2912    0.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3807   -0.4442    1.4832 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6439   -1.3149    2.1439 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.3777   -1.4110    3.6482 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7163   -2.8965    1.5542 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375   -0.6005    1.9485 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8930    3.0988   -3.4158 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6643    1.8031   -2.8278 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9481    1.2690   -1.2354 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3483    1.2111    1.7393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0041    3.2771    1.8411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0676    1.4796   -0.9007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7837    1.3246    0.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0246    3.7602    1.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9610   -0.6690   -0.3712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8490   -3.8726    1.3048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8041   -0.1224    2.9221 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0827   -0.6203   -1.5142 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4475   -4.3390   -2.9509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6353   -4.2890   -1.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2808   -0.7593   -0.3706 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6571   -3.2027    1.5973 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4353   -0.5221    1.0183 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
 22 23  1  0
 23 24  2  0
 23 25  1  0
 23 26  1  0
 21 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 29 31  1  0
 29 32  1  0
 27  6  1  0
  3 33  1  0
  4 34  1  0
  6 35  1  0
  7 36  1  0
  8 37  1  0
  9 38  1  0
 13 39  1  0
 14 40  1  0
 15 41  1  0
 19 42  1  0
 20 43  1  0
 21 44  1  0
 25 45  1  0
 26 46  1  0
 27 47  1  0
 31 48  1  0
 32 49  1  0
M  END
Download

3D SDF for HMDB0253492 (inositol 1,3,4,5,6-pentakisphosphate)


  Mrv1652309112113582D          

 32 32  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    1.5395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -2.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -0.9355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
  4 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
  3 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
  2 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
  1 32  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0253492

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1C(OP(O)(O)=O)C(OP(O)(O)=O)C(OP(O)(O)=O)C(OP(O)(O)=O)C1OP(O)(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)

> <INCHI_KEY>
CTPQAXVNYGZUAJ-UHFFFAOYSA-N

> <FORMULA>
C6H17O21P5

> <MOLECULAR_WEIGHT>
580.05

> <EXACT_MASS>
579.895042557

> <JCHEM_ACCEPTOR_COUNT>
16

> <JCHEM_ATOM_COUNT>
49

> <JCHEM_AVERAGE_POLARIZABILITY>
38.324549805229694

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
11

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[3-hydroxy-2,4,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy}phosphonic acid

> <ALOGPS_LOGP>
-0.14

> <JCHEM_LOGP>
-4.399839808666667

> <ALOGPS_LOGS>
-1.64

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-10

> <JCHEM_PKA>
0.636324719268778

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.1881270613850381

> <JCHEM_POLAR_SURFACE_AREA>
354.03000000000003

> <JCHEM_REFRACTIVITY>
90.13949999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.34e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[3-hydroxy-2,4,5,6-tetrakis(phosphonooxy)cyclohexyl]oxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0253492 (inositol 1,3,4,5,6-pentakisphosphate)

HMDB0253492
     RDKit          3D
inositol 1,3,4,5,6-pentakisphosphate
 49 49  0  0  0  0  0  0  0  0999 V2000
    3.8191    3.7726   -1.3352 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0139    2.5158   -1.5564 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.6524    2.9473   -2.4623 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8867    1.3512   -2.4180 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5114    1.8529   -0.0974 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3197    1.2036   -0.1811 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2503    1.7161    0.7410 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2392    3.0732    0.9018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0696    1.1890    0.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1371    1.7324    0.8261 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0754    2.6674   -0.2496 P   0  0  0  0  0  5  0  0  0  0  0  0
   -2.2455    3.1925   -1.3864 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3193    1.6488   -0.8084 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7354    3.9915    0.5563 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0755   -0.3101    0.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2761   -0.7685    1.5167 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7164   -1.6536    1.6739 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.5566   -1.5552    0.4177 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3849   -3.2884    1.9655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5903   -1.0671    2.9929 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1412   -0.8892   -0.4316 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1201   -2.2719   -0.3111 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0158   -2.9990   -1.8264 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.2331   -1.9934   -2.9314 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1979   -4.2065   -2.0026 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5233   -3.7202   -2.0132 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4211   -0.2912    0.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3807   -0.4442    1.4832 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6439   -1.3149    2.1439 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.3777   -1.4110    3.6482 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7163   -2.8965    1.5542 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375   -0.6005    1.9485 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8930    3.0988   -3.4158 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6643    1.8031   -2.8278 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9481    1.2690   -1.2354 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3483    1.2111    1.7393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0041    3.2771    1.8411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0676    1.4796   -0.9007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7837    1.3246    0.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0246    3.7602    1.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9610   -0.6690   -0.3712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8490   -3.8726    1.3048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8041   -0.1224    2.9221 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0827   -0.6203   -1.5142 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4475   -4.3390   -2.9509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6353   -4.2890   -1.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2808   -0.7593   -0.3706 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6571   -3.2027    1.5973 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4353   -0.5221    1.0183 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
 22 23  1  0
 23 24  2  0
 23 25  1  0
 23 26  1  0
 21 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 29 31  1  0
 29 32  1  0
 27  6  1  0
  3 33  1  0
  4 34  1  0
  6 35  1  0
  7 36  1  0
  8 37  1  0
  9 38  1  0
 13 39  1  0
 14 40  1  0
 15 41  1  0
 19 42  1  0
 20 43  1  0
 21 44  1  0
 25 45  1  0
 26 46  1  0
 27 47  1  0
 31 48  1  0
 32 49  1  0
M  END
Download

PDB for HMDB0253492 (inositol 1,3,4,5,6-pentakisphosphate)

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM    8  P   UNK     0      -2.667   1.540   0.000  0.00  0.00           P+0
HETATM    9  O   UNK     0      -4.001   0.770   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      -1.897   0.206   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      -3.437   2.874   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   13  P   UNK     0      -1.334  -2.310   0.000  0.00  0.00           P+0
HETATM   14  O   UNK     0      -2.874  -2.310   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       0.206  -2.310   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      -1.334  -3.850   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   18  P   UNK     0       2.667  -3.080   0.000  0.00  0.00           P+0
HETATM   19  O   UNK     0       1.897  -4.414   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       3.437  -1.746   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       4.001  -3.850   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   23  P   UNK     0       5.335  -0.000   0.000  0.00  0.00           P+0
HETATM   24  O   UNK     0       6.668   0.770   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       6.105  -1.334   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       4.565   1.334   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
HETATM   28  P   UNK     0       4.001   3.850   0.000  0.00  0.00           P+0
HETATM   29  O   UNK     0       5.541   3.850   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       2.461   3.850   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       4.001   5.390   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
CONECT    1    2    6   32                                                  
CONECT    2    1    3   27                                                  
CONECT    3    2    4   22                                                  
CONECT    4    3    5   17                                                  
CONECT    5    4    6   12                                                  
CONECT    6    5    1    7                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   10   11                                             
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    8                                                            
CONECT   12    5   13                                                       
CONECT   13   12   14   15   16                                             
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16   13                                                            
CONECT   17    4   18                                                       
CONECT   18   17   19   20   21                                             
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   18                                                            
CONECT   22    3   23                                                       
CONECT   23   22   24   25   26                                             
CONECT   24   23                                                            
CONECT   25   23                                                            
CONECT   26   23                                                            
CONECT   27    2   28                                                       
CONECT   28   27   29   30   31                                             
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31   28                                                            
CONECT   32    1                                                            
MASTER        0    0    0    0    0    0    0    0   32    0   64    0
END
Download

3D PDB for HMDB0253492 (inositol 1,3,4,5,6-pentakisphosphate)

COMPND    HMDB0253492
HETATM    1  O1  UNL     1       3.819   3.773  -1.335  1.00  0.00           O  
HETATM    2  P1  UNL     1       3.014   2.516  -1.556  1.00  0.00           P  
HETATM    3  O2  UNL     1       1.652   2.947  -2.462  1.00  0.00           O  
HETATM    4  O3  UNL     1       3.887   1.351  -2.418  1.00  0.00           O  
HETATM    5  O4  UNL     1       2.511   1.853  -0.097  1.00  0.00           O  
HETATM    6  C1  UNL     1       1.320   1.204  -0.181  1.00  0.00           C  
HETATM    7  C2  UNL     1       0.250   1.716   0.741  1.00  0.00           C  
HETATM    8  O5  UNL     1       0.239   3.073   0.902  1.00  0.00           O  
HETATM    9  C3  UNL     1      -1.070   1.189   0.160  1.00  0.00           C  
HETATM   10  O6  UNL     1      -2.137   1.732   0.826  1.00  0.00           O  
HETATM   11  P2  UNL     1      -3.075   2.667  -0.250  1.00  0.00           P  
HETATM   12  O7  UNL     1      -2.245   3.193  -1.386  1.00  0.00           O  
HETATM   13  O8  UNL     1      -4.319   1.649  -0.808  1.00  0.00           O  
HETATM   14  O9  UNL     1      -3.735   3.992   0.556  1.00  0.00           O  
HETATM   15  C4  UNL     1      -1.075  -0.310   0.231  1.00  0.00           C  
HETATM   16  O10 UNL     1      -1.276  -0.769   1.517  1.00  0.00           O  
HETATM   17  P3  UNL     1      -2.716  -1.654   1.674  1.00  0.00           P  
HETATM   18  O11 UNL     1      -3.557  -1.555   0.418  1.00  0.00           O  
HETATM   19  O12 UNL     1      -2.385  -3.288   1.966  1.00  0.00           O  
HETATM   20  O13 UNL     1      -3.590  -1.067   2.993  1.00  0.00           O  
HETATM   21  C5  UNL     1       0.141  -0.889  -0.432  1.00  0.00           C  
HETATM   22  O14 UNL     1       0.120  -2.272  -0.311  1.00  0.00           O  
HETATM   23  P4  UNL     1       0.016  -2.999  -1.826  1.00  0.00           P  
HETATM   24  O15 UNL     1       0.233  -1.993  -2.931  1.00  0.00           O  
HETATM   25  O16 UNL     1       1.198  -4.206  -2.003  1.00  0.00           O  
HETATM   26  O17 UNL     1      -1.523  -3.720  -2.013  1.00  0.00           O  
HETATM   27  C6  UNL     1       1.421  -0.291   0.127  1.00  0.00           C  
HETATM   28  O18 UNL     1       1.381  -0.444   1.483  1.00  0.00           O  
HETATM   29  P5  UNL     1       2.644  -1.315   2.144  1.00  0.00           P  
HETATM   30  O19 UNL     1       2.378  -1.411   3.648  1.00  0.00           O  
HETATM   31  O20 UNL     1       2.716  -2.897   1.554  1.00  0.00           O  
HETATM   32  O21 UNL     1       4.138  -0.601   1.948  1.00  0.00           O  
HETATM   33  H1  UNL     1       1.893   3.099  -3.416  1.00  0.00           H  
HETATM   34  H2  UNL     1       4.664   1.803  -2.828  1.00  0.00           H  
HETATM   35  H3  UNL     1       0.948   1.269  -1.235  1.00  0.00           H  
HETATM   36  H4  UNL     1       0.348   1.211   1.739  1.00  0.00           H  
HETATM   37  H5  UNL     1      -0.004   3.277   1.841  1.00  0.00           H  
HETATM   38  H6  UNL     1      -1.068   1.480  -0.901  1.00  0.00           H  
HETATM   39  H7  UNL     1      -4.784   1.325   0.020  1.00  0.00           H  
HETATM   40  H8  UNL     1      -4.025   3.760   1.466  1.00  0.00           H  
HETATM   41  H9  UNL     1      -1.961  -0.669  -0.371  1.00  0.00           H  
HETATM   42  H10 UNL     1      -2.849  -3.873   1.305  1.00  0.00           H  
HETATM   43  H11 UNL     1      -3.804  -0.122   2.922  1.00  0.00           H  
HETATM   44  H12 UNL     1       0.083  -0.620  -1.514  1.00  0.00           H  
HETATM   45  H13 UNL     1       1.447  -4.339  -2.951  1.00  0.00           H  
HETATM   46  H14 UNL     1      -1.635  -4.289  -1.199  1.00  0.00           H  
HETATM   47  H15 UNL     1       2.281  -0.759  -0.371  1.00  0.00           H  
HETATM   48  H16 UNL     1       3.657  -3.203   1.597  1.00  0.00           H  
HETATM   49  H17 UNL     1       4.435  -0.522   1.018  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4    5
CONECT    3   33
CONECT    4   34
CONECT    5    6
CONECT    6    7   27   35
CONECT    7    8    9   36
CONECT    8   37
CONECT    9   10   15   38
CONECT   10   11
CONECT   11   12   12   13   14
CONECT   13   39
CONECT   14   40
CONECT   15   16   21   41
CONECT   16   17
CONECT   17   18   18   19   20
CONECT   19   42
CONECT   20   43
CONECT   21   22   27   44
CONECT   22   23
CONECT   23   24   24   25   26
CONECT   25   45
CONECT   26   46
CONECT   27   28   47
CONECT   28   29
CONECT   29   30   30   31   32
CONECT   31   48
CONECT   32   49
END
Download

SMILES for HMDB0253492 (inositol 1,3,4,5,6-pentakisphosphate)

OC1C(OP(O)(O)=O)C(OP(O)(O)=O)C(OP(O)(O)=O)C(OP(O)(O)=O)C1OP(O)(O)=O
Download

INCHI for HMDB0253492 (inositol 1,3,4,5,6-pentakisphosphate)

InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)
Download
View in JSmolView Stereo Labels
Synonyms
ValueSource
{[2-hydroxy-3,4,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy}phosphonateGenerator
Inositol 1,3,4,5,6-pentakisphosphoric acidGenerator
(D)-Isomer, specified as 1,2,4,5,6 OF inositol pentaphosphateMeSH
InsP5MeSH
Inositol pentakisphosphateMeSH
Inositol pentis(dihydrogen phosphate)MeSH
Myo-inositol 1,3,4,5,6-pentakisphosphateMeSH
Myo-inositol pentakis(dihydrogen phosphate)MeSH
Chemical FormulaC6H17O21P5
Average Molecular Weight580.05
Monoisotopic Molecular Weight579.895042557
IUPAC Name{[3-hydroxy-2,4,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy}phosphonic acid
Traditional Name[3-hydroxy-2,4,5,6-tetrakis(phosphonooxy)cyclohexyl]oxyphosphonic acid
CAS Registry NumberNot Available
SMILES
OC1C(OP(O)(O)=O)C(OP(O)(O)=O)C(OP(O)(O)=O)C(OP(O)(O)=O)C1OP(O)(O)=O
InChI Identifier
InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)
InChI KeyCTPQAXVNYGZUAJ-UHFFFAOYSA-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.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassAlcohols and polyols
Direct ParentInositol phosphates
Alternative Parents
Substituents
  • Inositol phosphate
  • Monoalkyl phosphate
  • Cyclohexanol
  • Alkyl phosphate
  • Phosphoric acid ester
  • Organic phosphoric acid derivative
  • Secondary alcohol
  • Organic oxide
  • Hydrocarbon derivative
  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Not AvailableNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-0.14ALOGPS
logP-4.4ChemAxon
logS-1.6ALOGPS
pKa (Strongest Acidic)0.19ChemAxon
Physiological Charge-10ChemAxon
Hydrogen Acceptor Count16ChemAxon
Hydrogen Donor Count11ChemAxon
Polar Surface Area354.03 ŲChemAxon
Rotatable Bond Count10ChemAxon
Refractivity90.14 m³·mol⁻¹ChemAxon
Polarizability38.32 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+168.37730932474
DeepCCS[M-H]-165.98130932474
DeepCCS[M-2H]-199.17630932474
DeepCCS[M+Na]+174.28930932474
AllCCS[M+H]+205.332859911
AllCCS[M+H-H2O]+203.932859911
AllCCS[M+NH4]+206.632859911
AllCCS[M+Na]+207.032859911
AllCCS[M-H]-189.432859911
AllCCS[M+Na-2H]-189.932859911
AllCCS[M+HCOO]-190.632859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
inositol 1,3,4,5,6-pentakisphosphateOC1C(OP(O)(O)=O)C(OP(O)(O)=O)C(OP(O)(O)=O)C(OP(O)(O)=O)C1OP(O)(O)=O4224.7Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphateOC1C(OP(O)(O)=O)C(OP(O)(O)=O)C(OP(O)(O)=O)C(OP(O)(O)=O)C1OP(O)(O)=O3106.7Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphateOC1C(OP(O)(O)=O)C(OP(O)(O)=O)C(OP(O)(O)=O)C(OP(O)(O)=O)C1OP(O)(O)=O4876.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
inositol 1,3,4,5,6-pentakisphosphate,2TMS,isomer #1C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C4336.4Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TMS,isomer #1C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C4110.4Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TMS,isomer #1C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C6305.3Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TMS,isomer #10C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O4323.1Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TMS,isomer #10C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O4271.6Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TMS,isomer #10C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O6226.3Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TMS,isomer #11C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C4320.8Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TMS,isomer #11C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C4273.6Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TMS,isomer #11C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C6224.4Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TMS,isomer #12C[Si](C)(C)OP(=O)(OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C1OP(=O)(O)O)O[Si](C)(C)C4289.4Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TMS,isomer #12C[Si](C)(C)OP(=O)(OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C1OP(=O)(O)O)O[Si](C)(C)C4252.0Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TMS,isomer #12C[Si](C)(C)OP(=O)(OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C1OP(=O)(O)O)O[Si](C)(C)C6201.3Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TMS,isomer #2C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O4332.5Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TMS,isomer #2C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O4114.1Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TMS,isomer #2C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O6305.0Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TMS,isomer #3C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O4332.9Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TMS,isomer #3C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O4116.8Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TMS,isomer #3C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O6305.0Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TMS,isomer #4C[Si](C)(C)OP(=O)(OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O)O[Si](C)(C)C4290.8Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TMS,isomer #4C[Si](C)(C)OP(=O)(OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O)O[Si](C)(C)C4249.0Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TMS,isomer #4C[Si](C)(C)OP(=O)(OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O)O[Si](C)(C)C6207.8Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TMS,isomer #5C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O4318.6Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TMS,isomer #5C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O4276.6Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TMS,isomer #5C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O6226.6Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TMS,isomer #6C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O4321.0Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TMS,isomer #6C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O4274.1Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TMS,isomer #6C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O6226.5Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TMS,isomer #7C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O4317.9Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TMS,isomer #7C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O4275.7Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TMS,isomer #7C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O6224.6Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TMS,isomer #8C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C4321.2Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TMS,isomer #8C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C4274.0Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TMS,isomer #8C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C6226.4Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TMS,isomer #9C[Si](C)(C)OP(=O)(OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O)O[Si](C)(C)C4296.3Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TMS,isomer #9C[Si](C)(C)OP(=O)(OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O)O[Si](C)(C)C4248.4Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TMS,isomer #9C[Si](C)(C)OP(=O)(OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O)O[Si](C)(C)C6206.9Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #1C[Si](C)(C)OC1C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C4279.3Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #1C[Si](C)(C)OC1C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C4215.7Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #1C[Si](C)(C)OC1C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C5942.9Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #10C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O4221.3Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #10C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O4357.9Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #10C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O5874.0Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #11C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O4222.8Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #11C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O4356.0Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #11C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O5874.1Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #12C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1OP(=O)(O)O4220.8Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #12C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1OP(=O)(O)O4357.9Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #12C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1OP(=O)(O)O5872.2Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #13C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O4222.6Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #13C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O4356.1Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #13C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O5874.0Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #14C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O4249.4Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #14C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O4382.3Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #14C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O5901.3Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #15C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O4246.6Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #15C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O4383.9Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #15C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O5899.5Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #16C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O4224.2Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #16C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O4357.5Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #16C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O5873.1Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #17C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O4250.6Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #17C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O4382.5Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #17C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O5899.4Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #18C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C4253.1Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #18C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C4380.6Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #18C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C5901.3Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #19C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1OP(=O)(O)O4220.8Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #19C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1OP(=O)(O)O4361.3Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #19C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1OP(=O)(O)O5867.5Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #2C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C4275.7Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #2C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C4218.8Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #2C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C5942.6Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #20C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O[Si](C)(C)C4251.1Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #20C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O[Si](C)(C)C4382.4Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #20C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O[Si](C)(C)C5899.4Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #21C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4224.0Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #21C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4356.8Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #21C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C5873.1Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #22C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1OP(=O)(O)O4224.9Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #22C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1OP(=O)(O)O4354.2Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #22C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1OP(=O)(O)O5873.1Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #23C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4223.0Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #23C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4356.9Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #23C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C5871.3Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #24C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O[Si](C)(C)C4254.9Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #24C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O[Si](C)(C)C4380.9Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #24C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O[Si](C)(C)C5899.4Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #25C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4221.8Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #25C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4360.1Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #25C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C5867.5Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #3C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C4275.8Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #3C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C4221.0Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #3C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C5942.6Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #4C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O[Si](C)(C)C4276.1Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #4C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O[Si](C)(C)C4218.8Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #4C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O[Si](C)(C)C5942.6Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #5C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4234.2Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #5C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4192.9Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #5C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C5913.6Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #6C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O4273.7Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #6C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O4221.8Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #6C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O5942.3Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #7C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O4273.0Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #7C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O4225.0Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #7C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O5942.3Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #8C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1OP(=O)(O)O4233.4Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #8C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1OP(=O)(O)O4197.4Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #8C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1OP(=O)(O)O5914.3Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #9C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O4233.4Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #9C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O4198.6Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,3TMS,isomer #9C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O5914.4Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #1C[Si](C)(C)OC1C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4179.8Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #1C[Si](C)(C)OC1C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4250.8Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #1C[Si](C)(C)OC1C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C5641.0Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #10C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4181.1Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #10C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4255.8Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #10C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C5640.7Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #11C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1OP(=O)(O)O[Si](C)(C)C4181.2Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #11C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1OP(=O)(O)O[Si](C)(C)C4255.2Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #11C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1OP(=O)(O)O[Si](C)(C)C5641.8Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #12C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4180.7Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #12C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4253.2Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #12C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C5640.7Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #13C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1OP(=O)(O)O4184.0Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #13C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1OP(=O)(O)O4258.1Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #13C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1OP(=O)(O)O5641.5Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #14C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O4206.9Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #14C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O4288.6Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #14C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O5674.0Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #15C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O4182.4Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #15C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O4258.2Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #15C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O5641.5Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #16C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1OP(=O)(O)O4182.4Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #16C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1OP(=O)(O)O4260.3Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #16C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1OP(=O)(O)O5641.5Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #17C[Si](C)(C)OP(=O)(OC1C(O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O)O[Si](C)(C)C4154.6Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #17C[Si](C)(C)OP(=O)(OC1C(O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O)O[Si](C)(C)C4386.1Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #17C[Si](C)(C)OP(=O)(OC1C(O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O)O[Si](C)(C)C5598.8Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #18C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O4167.1Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #18C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O4410.2Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #18C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O5628.1Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #19C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O4166.7Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #19C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O4411.9Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #19C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O5626.3Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #2C[Si](C)(C)OC1C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O[Si](C)(C)C4206.0Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #2C[Si](C)(C)OC1C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O[Si](C)(C)C4279.4Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #2C[Si](C)(C)OC1C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O[Si](C)(C)C5674.6Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #20C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C4167.1Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #20C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C4410.0Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #20C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C5628.1Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #21C[Si](C)(C)OP(=O)(OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O)O[Si](C)(C)C4153.7Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #21C[Si](C)(C)OP(=O)(OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O)O[Si](C)(C)C4383.5Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #21C[Si](C)(C)OP(=O)(OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O)O[Si](C)(C)C5597.6Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #22C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O4165.2Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #22C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O4407.9Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #22C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O5627.8Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #23C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C4164.3Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #23C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C4409.5Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #23C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C5626.0Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #24C[Si](C)(C)OP(=O)(OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1OP(=O)(O)O)O[Si](C)(C)C4152.1Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #24C[Si](C)(C)OP(=O)(OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1OP(=O)(O)O)O[Si](C)(C)C4386.8Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #24C[Si](C)(C)OP(=O)(OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1OP(=O)(O)O)O[Si](C)(C)C5591.9Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #25C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C4164.5Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #25C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C4409.3Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #25C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C5626.0Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #26C[Si](C)(C)OP(=O)(OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C4152.8Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #26C[Si](C)(C)OP(=O)(OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C4382.7Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #26C[Si](C)(C)OP(=O)(OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C5597.6Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #27C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O4166.8Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #27C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O4411.8Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #27C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O5627.3Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #28C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O4184.0Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #28C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O4440.7Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #28C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O5657.1Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #29C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C4185.0Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #29C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C4439.6Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #29C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C5658.9Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #3C[Si](C)(C)OC1C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C4206.2Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #3C[Si](C)(C)OC1C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C4281.1Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #3C[Si](C)(C)OC1C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C5674.6Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #30C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1OP(=O)(O)O4165.9Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #30C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1OP(=O)(O)O4414.7Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #30C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1OP(=O)(O)O5621.6Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #31C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O4164.0Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #31C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O4411.0Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #31C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O5625.1Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #32C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C4165.1Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #32C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C4409.9Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #32C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C5626.9Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #33C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1OP(=O)(O)O4163.2Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #33C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1OP(=O)(O)O4412.6Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #33C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1OP(=O)(O)O5621.2Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #34C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O[Si](C)(C)C4182.7Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #34C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O[Si](C)(C)C4439.3Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #34C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O[Si](C)(C)C5656.8Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #35C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4164.9Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #35C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4409.4Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #35C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C5626.9Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #36C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1OP(=O)(O)O[Si](C)(C)C4163.5Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #36C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1OP(=O)(O)O[Si](C)(C)C4412.3Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #36C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1OP(=O)(O)O[Si](C)(C)C5621.2Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #37C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4164.0Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #37C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4410.3Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #37C[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C5625.1Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #38C[Si](C)(C)OP(=O)(OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1OP(=O)(O)O)O[Si](C)(C)C4152.1Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #38C[Si](C)(C)OP(=O)(OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1OP(=O)(O)O)O[Si](C)(C)C4380.8Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #38C[Si](C)(C)OP(=O)(OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1OP(=O)(O)O)O[Si](C)(C)C5596.4Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #39C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1OP(=O)(O)O[Si](C)(C)C4162.3Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #39C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1OP(=O)(O)O[Si](C)(C)C4408.5Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #39C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1OP(=O)(O)O[Si](C)(C)C5624.8Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #4C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C4181.9Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #4C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C4254.6Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #4C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C5641.8Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #40C[Si](C)(C)OP(=O)(OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C4149.9Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #40C[Si](C)(C)OP(=O)(OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C4383.3Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #40C[Si](C)(C)OP(=O)(OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C5590.7Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #41C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4161.4Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #41C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4410.6Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #41C[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C5620.8Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #5C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C4206.6Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #5C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C4284.7Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #5C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C5674.3Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #6C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O[Si](C)(C)C4206.6Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #6C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O[Si](C)(C)C4282.6Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #6C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O[Si](C)(C)C5674.3Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #7C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4181.5Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #7C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4254.0Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #7C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C5640.7Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #8C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C4181.7Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #8C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C4254.7Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #8C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C5641.8Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #9C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O[Si](C)(C)C4206.4Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #9C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O[Si](C)(C)C4284.8Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,4TMS,isomer #9C[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)O[Si](C)(C)C)C1OP(=O)(O)O[Si](C)(C)C5674.3Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C(C)(C)C4724.2Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C(C)(C)C4425.2Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C(C)(C)C6344.3Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C1OP(=O)(O)O4709.2Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C1OP(=O)(O)O4576.2Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C1OP(=O)(O)O6309.4Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C(C)(C)C4707.9Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C(C)(C)C4576.3Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C(C)(C)C6307.3Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OP(=O)(OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C1OP(=O)(O)O)O[Si](C)(C)C(C)(C)C4669.4Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OP(=O)(OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C1OP(=O)(O)O)O[Si](C)(C)C(C)(C)C4538.0Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OP(=O)(OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C1OP(=O)(O)O)O[Si](C)(C)C(C)(C)C6287.0Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C1OP(=O)(O)O4721.7Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C1OP(=O)(O)O4428.7Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C1OP(=O)(O)O6343.8Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O4721.7Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O4431.2Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O6343.8Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OP(=O)(OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O)O[Si](C)(C)C(C)(C)C4672.9Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OP(=O)(OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O)O[Si](C)(C)C(C)(C)C4537.3Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OP(=O)(OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O)O[Si](C)(C)C(C)(C)C6293.8Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O4708.3Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O4581.6Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O6309.2Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O4708.4Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O4578.6Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(OP(=O)(O)O)C1OP(=O)(O)O6309.3Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C1OP(=O)(O)O4707.0Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C1OP(=O)(O)O4578.9Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C1OP(=O)(O)O6307.2Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C(C)(C)C4709.2Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C(C)(C)C4578.4Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O[Si](C)(C)C(C)(C)C6309.3Standard polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OP(=O)(OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O)O[Si](C)(C)C(C)(C)C4673.4Semi standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OP(=O)(OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O)O[Si](C)(C)C(C)(C)C4535.5Standard non polar33892256
inositol 1,3,4,5,6-pentakisphosphate,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OP(=O)(OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O)O[Si](C)(C)C(C)(C)C6293.1Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - inositol 1,3,4,5,6-pentakisphosphate GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - inositol 1,3,4,5,6-pentakisphosphate GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - inositol 1,3,4,5,6-pentakisphosphate GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - inositol 1,3,4,5,6-pentakisphosphate GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - inositol 1,3,4,5,6-pentakisphosphate GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - inositol 1,3,4,5,6-pentakisphosphate GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - inositol 1,3,4,5,6-pentakisphosphate GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - inositol 1,3,4,5,6-pentakisphosphate GC-MS (TBDMS_1_4) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - inositol 1,3,4,5,6-pentakisphosphate 10V, Positive-QTOFsplash10-001i-0000090000-ae443156344679b63e2c2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - inositol 1,3,4,5,6-pentakisphosphate 20V, Positive-QTOFsplash10-001i-0000090000-fcede6c17bbf33480de12021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - inositol 1,3,4,5,6-pentakisphosphate 40V, Positive-QTOFsplash10-0f8a-6004900000-702cec71ae5ecfbdab2b2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - inositol 1,3,4,5,6-pentakisphosphate 10V, Negative-QTOFsplash10-004i-0000090000-71e39519255a74278e9b2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - inositol 1,3,4,5,6-pentakisphosphate 20V, Negative-QTOFsplash10-01t9-2000090000-b9896fd377213f13cbd12021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - inositol 1,3,4,5,6-pentakisphosphate 40V, Negative-QTOFsplash10-004i-9000400000-4a49479738b267246b632021-10-12Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID468
KEGG Compound IDC15991
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound482
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Enzymes

Enzyme Details
1. Inositol polyphosphate multikinase
General function:
Involved in inositol trisphosphate 3-kinase activity
Specific function:
Inositol phosphate kinase with a broad substrate specificity. Has a preference for inositol 1,4,5-trisphosphate (Ins(1,4,5)P3) and inositol 1,3,4,6-tetrakisphosphate (Ins(1,3,4,6)P4).
Gene Name:
IPMK
Uniprot ID:
Q8NFU5
Molecular weight:
47221.455