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Showing metabocard for 2'-Deoxyinosine triphosphate (HMDB0003537)

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enzymes (8) Show 8 proteins
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2006-08-12 23:20:46 UTC
Update Date2021-09-14 15:40:09 UTC
HMDB IDHMDB0003537
Secondary Accession Numbers
  • HMDB03537
Metabolite Identification
Common Name2'-Deoxyinosine triphosphate
Description2'-Deoxyinosine triphosphate (dITP) is a deoxyribonucleotide that may be generated from dATP by slow, non-enzymatic hydrolysis or by reduction of ITP. Normally, the cellular dITP concentration is very low. The inability to demonstrate the synthesis of dITP in cellular preparations has been attributed to the presence in the cytoplasm of an inosine triphosphatase pyrophosphatase (ITPase, EC 3.6.1.19), an enzyme that does not permit accumulation of these nucleotides. dITP can be incorporated into DNA by polymerases. The deoxyribonucleotide dITP behaves as a dGTP analogue and is incorporated opposite cytosine with about 50% efficiency. Both isolated nuclei and purified DNA polymerases rapidly incorporated dITP into DNA. In the presence of ATP, dITP is stabilized in extracts of nuclei. dITP exist in all cells and is potentially mutagenic, and the levels of these nucleotides are controlled by ITPase. The function of this ubiquitous protein family is proposed to be the elimination of minor potentially mutagenic or clastogenic purine nucleoside triphosphates from the cell. (PMID: 11278832 ).
Structure
Data?1582752280
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0003537 (2'-Deoxyinosine triphosphate)


  Mrv0541 02231219452D          

 30 32  0  0  1  0            999 V2000
   20.8905  -13.6626    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   21.1901  -12.2654    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   21.4895  -10.8682    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   20.3585  -16.5114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2970  -15.6174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1441  -14.4477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6369  -12.8775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6756  -13.4090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1054  -13.9161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0908  -20.2778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7431  -11.6532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5779  -11.7123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8021  -12.8185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2746  -10.6146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2359  -10.0831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7045  -11.1218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5860  -17.9639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.5860  -19.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.0908  -17.8028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3764  -19.0403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.6288  -16.1012    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.8422  -17.1798    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.8446  -15.8448    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.6273  -16.9262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5910  -15.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8054  -18.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0675  -18.6278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8054  -19.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0908  -19.4528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3764  -18.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  2  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  2  0  0  0  0
  3 11  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  2  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
 21  5  1  1  0  0  0
  6 25  1  0  0  0  0
 10 29  2  0  0  0  0
 22 17  1  6  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 27  2  0  0  0  0
 18 28  1  0  0  0  0
 19 26  1  0  0  0  0
 19 30  1  0  0  0  0
 20 29  1  0  0  0  0
 20 30  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  6  0  0  0
 26 28  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
Download

3D MOL for HMDB0003537 (2'-Deoxyinosine triphosphate)

HMDB0003537
     RDKit          3D
2'-Deoxyinosine triphosphate
 45 47  0  0  0  0  0  0  0  0999 V2000
   -6.5269   -1.4104   -3.2793 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3127   -0.7864   -2.1906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3388   -0.3616   -1.4413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1022    0.2954   -0.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8503    0.5480    0.1371 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8097    0.1295   -0.6012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0181   -0.5479   -1.7832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8146   -0.8333   -2.2901 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9029   -0.3496   -1.4516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4686    0.2553   -0.3909 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8277    0.9039    0.7376 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9511    0.0075    1.9271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5494   -0.0998    2.4713 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5618    0.3483    3.8102 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7648    0.8273    1.5960 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5914    0.2282    1.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3694    1.0481    0.5093 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8804    0.3451    0.2305 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.3041   -0.3075    1.5420 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8076   -0.8552   -0.9396 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0478    1.5083   -0.1290 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3593    0.8832   -0.9454 P   0  0  0  0  0  5  0  0  0  0  0  0
    6.5811    1.7277   -0.5732 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1790    1.0280   -2.6267 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7211   -0.7063   -0.5064 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2537   -1.0564   -1.1825 P   0  0  0  0  0  5  0  0  0  0  0  0
    8.0829    0.2271   -1.2652 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0926   -1.6960   -2.7315 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1104   -2.1431   -0.2341 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4845    1.0305    0.4366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9479    0.6363    0.3062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6402    1.0573    1.0254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8382   -0.4320   -1.6031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3376    1.8745    0.9114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6553    0.4732    2.6586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3538   -0.9895    1.6860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1854   -1.1390    2.4213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7512    0.9250    3.9086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6502    1.8016    2.0991 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -0.7499    0.8094 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1164    0.0598    2.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8184   -1.7538   -0.5300 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2654    0.8415   -2.9265 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1370   -0.9928   -3.4329 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5217   -1.6362    0.5250 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 18 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 22 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 26 29  1  0
 15 30  1  0
  7  2  1  0
 30 11  1  0
 10  6  1  0
  4 31  1  0
  5 32  1  0
  9 33  1  0
 11 34  1  1
 12 35  1  0
 12 36  1  0
 13 37  1  1
 14 38  1  0
 15 39  1  1
 16 40  1  0
 16 41  1  0
 20 42  1  0
 24 43  1  0
 28 44  1  0
 29 45  1  0
M  END
Download

3D SDF for HMDB0003537 (2'-Deoxyinosine triphosphate)


  Mrv0541 02231219452D          

 30 32  0  0  1  0            999 V2000
   20.8905  -13.6626    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   21.1901  -12.2654    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   21.4895  -10.8682    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   20.3585  -16.5114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2970  -15.6174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1441  -14.4477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6369  -12.8775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6756  -13.4090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1054  -13.9161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0908  -20.2778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7431  -11.6532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5779  -11.7123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8021  -12.8185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2746  -10.6146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2359  -10.0831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7045  -11.1218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5860  -17.9639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.5860  -19.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.0908  -17.8028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3764  -19.0403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.6288  -16.1012    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.8422  -17.1798    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.8446  -15.8448    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.6273  -16.9262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5910  -15.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8054  -18.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0675  -18.6278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8054  -19.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0908  -19.4528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3764  -18.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  2  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  2  0  0  0  0
  3 11  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  2  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
 21  5  1  1  0  0  0
  6 25  1  0  0  0  0
 10 29  2  0  0  0  0
 22 17  1  6  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 27  2  0  0  0  0
 18 28  1  0  0  0  0
 19 26  1  0  0  0  0
 19 30  1  0  0  0  0
 20 29  1  0  0  0  0
 20 30  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  6  0  0  0
 26 28  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0003537

> <DATABASE_NAME>
hmdb

> <SMILES>
O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=NC2=C1NC=NC2=O

> <INCHI_IDENTIFIER>
InChI=1S/C10H15N4O13P3/c15-5-1-7(14-4-13-8-9(14)11-3-12-10(8)16)25-6(5)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,15H,1-2H2,(H,20,21)(H,22,23)(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1

> <INCHI_KEY>
UFJPAQSLHAGEBL-RRKCRQDMSA-N

> <FORMULA>
C10H15N4O13P3

> <MOLECULAR_WEIGHT>
492.1664

> <EXACT_MASS>
491.984846122

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
36.03238818872843

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[hydroxy({[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(6-oxo-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methoxy})phosphoryl]oxy})phosphoryl]oxy}phosphonic acid

> <ALOGPS_LOGP>
-0.26

> <JCHEM_LOGP>
-3.8224057695977476

> <ALOGPS_LOGS>
-1.99

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-4

> <JCHEM_PKA>
2.320492541990632

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.8893008689967639

> <JCHEM_PKA_STRONGEST_BASIC>
2.8488337366654934

> <JCHEM_POLAR_SURFACE_AREA>
248.55999999999995

> <JCHEM_REFRACTIVITY>
92.00640000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.04e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[hydroxy({hydroxy[(2R,3S,5R)-3-hydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxyphosphoryl}oxy)phosphoryl]oxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0003537 (2'-Deoxyinosine triphosphate)

HMDB0003537
     RDKit          3D
2'-Deoxyinosine triphosphate
 45 47  0  0  0  0  0  0  0  0999 V2000
   -6.5269   -1.4104   -3.2793 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3127   -0.7864   -2.1906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3388   -0.3616   -1.4413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1022    0.2954   -0.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8503    0.5480    0.1371 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8097    0.1295   -0.6012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0181   -0.5479   -1.7832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8146   -0.8333   -2.2901 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9029   -0.3496   -1.4516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4686    0.2553   -0.3909 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8277    0.9039    0.7376 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9511    0.0075    1.9271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5494   -0.0998    2.4713 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5618    0.3483    3.8102 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7648    0.8273    1.5960 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5914    0.2282    1.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3694    1.0481    0.5093 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8804    0.3451    0.2305 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.3041   -0.3075    1.5420 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8076   -0.8552   -0.9396 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0478    1.5083   -0.1290 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3593    0.8832   -0.9454 P   0  0  0  0  0  5  0  0  0  0  0  0
    6.5811    1.7277   -0.5732 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1790    1.0280   -2.6267 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7211   -0.7063   -0.5064 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2537   -1.0564   -1.1825 P   0  0  0  0  0  5  0  0  0  0  0  0
    8.0829    0.2271   -1.2652 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0926   -1.6960   -2.7315 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1104   -2.1431   -0.2341 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4845    1.0305    0.4366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9479    0.6363    0.3062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6402    1.0573    1.0254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8382   -0.4320   -1.6031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3376    1.8745    0.9114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6553    0.4732    2.6586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3538   -0.9895    1.6860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1854   -1.1390    2.4213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7512    0.9250    3.9086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6502    1.8016    2.0991 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -0.7499    0.8094 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1164    0.0598    2.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8184   -1.7538   -0.5300 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2654    0.8415   -2.9265 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1370   -0.9928   -3.4329 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5217   -1.6362    0.5250 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 18 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 22 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 26 29  1  0
 15 30  1  0
  7  2  1  0
 30 11  1  0
 10  6  1  0
  4 31  1  0
  5 32  1  0
  9 33  1  0
 11 34  1  1
 12 35  1  0
 12 36  1  0
 13 37  1  1
 14 38  1  0
 15 39  1  1
 16 40  1  0
 16 41  1  0
 20 42  1  0
 24 43  1  0
 28 44  1  0
 29 45  1  0
M  END
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PDB for HMDB0003537 (2'-Deoxyinosine triphosphate)

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  P   UNK     0      38.996 -25.504   0.000  0.00  0.00           P+0
HETATM    2  P   UNK     0      39.555 -22.895   0.000  0.00  0.00           P+0
HETATM    3  P   UNK     0      40.114 -20.287   0.000  0.00  0.00           P+0
HETATM    4  O   UNK     0      38.003 -30.821   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      41.621 -29.152   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      39.469 -26.969   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      38.522 -24.038   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      40.461 -25.030   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      37.530 -25.977   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      35.636 -37.852   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      40.587 -21.753   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      38.412 -21.863   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      40.697 -23.928   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      41.579 -19.814   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      39.640 -18.822   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      38.648 -20.761   0.000  0.00  0.00           O+0
HETATM   17  N   UNK     0      38.427 -33.533   0.000  0.00  0.00           N+0
HETATM   18  N   UNK     0      38.427 -36.011   0.000  0.00  0.00           N+0
HETATM   19  N   UNK     0      35.636 -33.232   0.000  0.00  0.00           N+0
HETATM   20  N   UNK     0      34.303 -35.542   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0      40.374 -30.056   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      38.905 -32.069   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      38.910 -29.577   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      40.371 -31.596   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      38.437 -28.112   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      36.970 -34.002   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      39.326 -34.772   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      36.970 -35.542   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      35.636 -36.312   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      34.303 -34.002   0.000  0.00  0.00           C+0
CONECT    1    6    7    8    9                                             
CONECT    2    7   11   12   13                                             
CONECT    3   11   14   15   16                                             
CONECT    4   22   23                                                       
CONECT    5   21                                                            
CONECT    6    1   25                                                       
CONECT    7    1    2                                                       
CONECT    8    1                                                            
CONECT    9    1                                                            
CONECT   10   29                                                            
CONECT   11    2    3                                                       
CONECT   12    2                                                            
CONECT   13    2                                                            
CONECT   14    3                                                            
CONECT   15    3                                                            
CONECT   16    3                                                            
CONECT   17   22   26   27                                                  
CONECT   18   27   28                                                       
CONECT   19   26   30                                                       
CONECT   20   29   30                                                       
CONECT   21    5   23   24                                                  
CONECT   22    4   17   24                                                  
CONECT   23    4   21   25                                                  
CONECT   24   21   22                                                       
CONECT   25    6   23                                                       
CONECT   26   17   19   28                                                  
CONECT   27   17   18                                                       
CONECT   28   18   26   29                                                  
CONECT   29   10   20   28                                                  
CONECT   30   19   20                                                       
MASTER        0    0    0    0    0    0    0    0   30    0   64    0
END
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3D PDB for HMDB0003537 (2'-Deoxyinosine triphosphate)

COMPND    HMDB0003537
HETATM    1  O1  UNL     1      -6.527  -1.410  -3.279  1.00  0.00           O  
HETATM    2  C1  UNL     1      -6.313  -0.786  -2.191  1.00  0.00           C  
HETATM    3  N1  UNL     1      -7.339  -0.362  -1.441  1.00  0.00           N  
HETATM    4  C2  UNL     1      -7.102   0.295  -0.295  1.00  0.00           C  
HETATM    5  N2  UNL     1      -5.850   0.548   0.137  1.00  0.00           N  
HETATM    6  C3  UNL     1      -4.810   0.130  -0.601  1.00  0.00           C  
HETATM    7  C4  UNL     1      -5.018  -0.548  -1.783  1.00  0.00           C  
HETATM    8  N3  UNL     1      -3.815  -0.833  -2.290  1.00  0.00           N  
HETATM    9  C5  UNL     1      -2.903  -0.350  -1.452  1.00  0.00           C  
HETATM   10  N4  UNL     1      -3.469   0.255  -0.391  1.00  0.00           N  
HETATM   11  C6  UNL     1      -2.828   0.904   0.738  1.00  0.00           C  
HETATM   12  C7  UNL     1      -2.951   0.008   1.927  1.00  0.00           C  
HETATM   13  C8  UNL     1      -1.549  -0.100   2.471  1.00  0.00           C  
HETATM   14  O2  UNL     1      -1.562   0.348   3.810  1.00  0.00           O  
HETATM   15  C9  UNL     1      -0.765   0.827   1.596  1.00  0.00           C  
HETATM   16  C10 UNL     1       0.591   0.228   1.328  1.00  0.00           C  
HETATM   17  O3  UNL     1       1.369   1.048   0.509  1.00  0.00           O  
HETATM   18  P1  UNL     1       2.880   0.345   0.230  1.00  0.00           P  
HETATM   19  O4  UNL     1       3.304  -0.308   1.542  1.00  0.00           O  
HETATM   20  O5  UNL     1       2.808  -0.855  -0.940  1.00  0.00           O  
HETATM   21  O6  UNL     1       4.048   1.508  -0.129  1.00  0.00           O  
HETATM   22  P2  UNL     1       5.359   0.883  -0.945  1.00  0.00           P  
HETATM   23  O7  UNL     1       6.581   1.728  -0.573  1.00  0.00           O  
HETATM   24  O8  UNL     1       5.179   1.028  -2.627  1.00  0.00           O  
HETATM   25  O9  UNL     1       5.721  -0.706  -0.506  1.00  0.00           O  
HETATM   26  P3  UNL     1       7.254  -1.056  -1.182  1.00  0.00           P  
HETATM   27  O10 UNL     1       8.083   0.227  -1.265  1.00  0.00           O  
HETATM   28  O11 UNL     1       7.093  -1.696  -2.731  1.00  0.00           O  
HETATM   29  O12 UNL     1       8.110  -2.143  -0.234  1.00  0.00           O  
HETATM   30  O13 UNL     1      -1.484   1.030   0.437  1.00  0.00           O  
HETATM   31  H1  UNL     1      -7.948   0.636   0.306  1.00  0.00           H  
HETATM   32  H2  UNL     1      -5.640   1.057   1.025  1.00  0.00           H  
HETATM   33  H3  UNL     1      -1.838  -0.432  -1.603  1.00  0.00           H  
HETATM   34  H4  UNL     1      -3.338   1.874   0.911  1.00  0.00           H  
HETATM   35  H5  UNL     1      -3.655   0.473   2.659  1.00  0.00           H  
HETATM   36  H6  UNL     1      -3.354  -0.990   1.686  1.00  0.00           H  
HETATM   37  H7  UNL     1      -1.185  -1.139   2.421  1.00  0.00           H  
HETATM   38  H8  UNL     1      -0.751   0.925   3.909  1.00  0.00           H  
HETATM   39  H9  UNL     1      -0.650   1.802   2.099  1.00  0.00           H  
HETATM   40  H10 UNL     1       0.404  -0.750   0.809  1.00  0.00           H  
HETATM   41  H11 UNL     1       1.116   0.060   2.273  1.00  0.00           H  
HETATM   42  H12 UNL     1       2.818  -1.754  -0.530  1.00  0.00           H  
HETATM   43  H13 UNL     1       4.265   0.842  -2.926  1.00  0.00           H  
HETATM   44  H14 UNL     1       7.137  -0.993  -3.433  1.00  0.00           H  
HETATM   45  H15 UNL     1       8.522  -1.636   0.525  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    7
CONECT    3    4    4
CONECT    4    5   31
CONECT    5    6   32
CONECT    6    7    7   10
CONECT    7    8
CONECT    8    9    9
CONECT    9   10   33
CONECT   10   11
CONECT   11   12   30   34
CONECT   12   13   35   36
CONECT   13   14   15   37
CONECT   14   38
CONECT   15   16   30   39
CONECT   16   17   40   41
CONECT   17   18
CONECT   18   19   19   20   21
CONECT   20   42
CONECT   21   22
CONECT   22   23   23   24   25
CONECT   24   43
CONECT   25   26
CONECT   26   27   27   28   29
CONECT   28   44
CONECT   29   45
END
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SMILES for HMDB0003537 (2'-Deoxyinosine triphosphate)

O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=NC2=C1NC=NC2=O
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INCHI for HMDB0003537 (2'-Deoxyinosine triphosphate)

InChI=1S/C10H15N4O13P3/c15-5-1-7(14-4-13-8-9(14)11-3-12-10(8)16)25-6(5)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,15H,1-2H2,(H,20,21)(H,22,23)(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
2'-Deoxyinosine 5'-triphosphateChEBI
2'-Deoxyinosine-5'-triphosphateChEBI
Deoxyinosine 5'-triphosphateChEBI
2'-Deoxyinosine 5'-triphosphoric acidGenerator
2'-Deoxyinosine-5'-triphosphoric acidGenerator
Deoxyinosine 5'-triphosphoric acidGenerator
2'-Deoxyinosine triphosphoric acidGenerator
2'-Deoxy-inosine 5'-(tetrahydrogen triphosphate)HMDB
2'-DitpHMDB
Deoxyinosine triphosphateHMDB
DITPHMDB
2'-Deoxyinosine triphosphate, trisodium saltHMDB
2'-Deoxyinosine triphosphateMeSH
Chemical FormulaC10H15N4O13P3
Average Molecular Weight492.1664
Monoisotopic Molecular Weight491.984846122
IUPAC Name{[hydroxy({[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(6-oxo-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methoxy})phosphoryl]oxy})phosphoryl]oxy}phosphonic acid
Traditional Name[hydroxy({hydroxy[(2R,3S,5R)-3-hydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxyphosphoryl}oxy)phosphoryl]oxyphosphonic acid
CAS Registry Number16595-02-1
SMILES
O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=NC2=C1NC=NC2=O
InChI Identifier
InChI=1S/C10H15N4O13P3/c15-5-1-7(14-4-13-8-9(14)11-3-12-10(8)16)25-6(5)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,15H,1-2H2,(H,20,21)(H,22,23)(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1
InChI KeyUFJPAQSLHAGEBL-RRKCRQDMSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as purine 2'-deoxyribonucleoside triphosphates. These are purine nucleotides with triphosphate group linked to the ribose moiety lacking a hydroxyl group at position 2.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassPurine nucleotides
Sub ClassPurine deoxyribonucleotides
Direct ParentPurine 2'-deoxyribonucleoside triphosphates
Alternative Parents
Substituents
  • Purine 2'-deoxyribonucleoside triphosphate
  • 6-oxopurine
  • Hypoxanthine
  • Imidazopyrimidine
  • Purine
  • Pyrimidone
  • Monoalkyl phosphate
  • N-substituted imidazole
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Pyrimidine
  • Alkyl phosphate
  • Tetrahydrofuran
  • Heteroaromatic compound
  • Azole
  • Vinylogous amide
  • Imidazole
  • Secondary alcohol
  • Azacycle
  • Organoheterocyclic compound
  • Oxacycle
  • Hydrocarbon derivative
  • Alcohol
  • Organic nitrogen compound
  • Organopnictogen compound
  • Organonitrogen compound
  • Organic oxygen compound
  • Organooxygen compound
  • Organic oxide
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Source
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP-3.355Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility5.04 g/LALOGPS
logP-0.26ALOGPS
logP-3.8ChemAxon
logS-2ALOGPS
pKa (Strongest Acidic)0.89ChemAxon
pKa (Strongest Basic)2.85ChemAxon
Physiological Charge-4ChemAxon
Hydrogen Acceptor Count13ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area248.56 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity92.01 m³·mol⁻¹ChemAxon
Polarizability36.03 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+201.51931661259
DarkChem[M-H]-195.54831661259
DeepCCS[M+H]+131.58530932474
DeepCCS[M-H]-128.38930932474
DeepCCS[M-2H]-164.07630932474
DeepCCS[M+Na]+139.55430932474
AllCCS[M+H]+195.732859911
AllCCS[M+H-H2O]+193.732859911
AllCCS[M+NH4]+197.532859911
AllCCS[M+Na]+198.032859911
AllCCS[M-H]-187.132859911
AllCCS[M+Na-2H]-187.332859911
AllCCS[M+HCOO]-187.632859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
2'-Deoxyinosine triphosphateO[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=NC2=C1NC=NC2=O4888.0Standard polar33892256
2'-Deoxyinosine triphosphateO[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=NC2=C1NC=NC2=O2533.5Standard non polar33892256
2'-Deoxyinosine triphosphateO[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=NC2=C1NC=NC2=O4449.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
2'-Deoxyinosine triphosphate,1TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O3755.0Semi standard non polar33892256
2'-Deoxyinosine triphosphate,1TMS,isomer #2C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)OP(=O)(O)OP(=O)(O)O3800.9Semi standard non polar33892256
2'-Deoxyinosine triphosphate,1TMS,isomer #3C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O3807.0Semi standard non polar33892256
2'-Deoxyinosine triphosphate,1TMS,isomer #4C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O3775.6Semi standard non polar33892256
2'-Deoxyinosine triphosphate,1TMS,isomer #5C[Si](C)(C)N1C=NC(=O)C2=C1N([C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1)C=N23832.7Semi standard non polar33892256
2'-Deoxyinosine triphosphate,2TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O3683.1Semi standard non polar33892256
2'-Deoxyinosine triphosphate,2TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O3932.7Standard non polar33892256
2'-Deoxyinosine triphosphate,2TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O6073.8Standard polar33892256
2'-Deoxyinosine triphosphate,2TMS,isomer #10C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O3704.8Semi standard non polar33892256
2'-Deoxyinosine triphosphate,2TMS,isomer #10C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O4012.8Standard non polar33892256
2'-Deoxyinosine triphosphate,2TMS,isomer #10C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O5847.0Standard polar33892256
2'-Deoxyinosine triphosphate,2TMS,isomer #11C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O3771.6Semi standard non polar33892256
2'-Deoxyinosine triphosphate,2TMS,isomer #11C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O4014.3Standard non polar33892256
2'-Deoxyinosine triphosphate,2TMS,isomer #11C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O6166.8Standard polar33892256
2'-Deoxyinosine triphosphate,2TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3667.3Semi standard non polar33892256
2'-Deoxyinosine triphosphate,2TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3943.0Standard non polar33892256
2'-Deoxyinosine triphosphate,2TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O6080.9Standard polar33892256
2'-Deoxyinosine triphosphate,2TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C3662.7Semi standard non polar33892256
2'-Deoxyinosine triphosphate,2TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C3943.5Standard non polar33892256
2'-Deoxyinosine triphosphate,2TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C6130.3Standard polar33892256
2'-Deoxyinosine triphosphate,2TMS,isomer #4C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O3751.4Semi standard non polar33892256
2'-Deoxyinosine triphosphate,2TMS,isomer #4C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O3920.8Standard non polar33892256
2'-Deoxyinosine triphosphate,2TMS,isomer #4C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O6470.4Standard polar33892256
2'-Deoxyinosine triphosphate,2TMS,isomer #5C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3712.0Semi standard non polar33892256
2'-Deoxyinosine triphosphate,2TMS,isomer #5C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O4034.8Standard non polar33892256
2'-Deoxyinosine triphosphate,2TMS,isomer #5C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O5731.1Standard polar33892256
2'-Deoxyinosine triphosphate,2TMS,isomer #6C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)O[Si](C)(C)C3703.2Semi standard non polar33892256
2'-Deoxyinosine triphosphate,2TMS,isomer #6C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)O[Si](C)(C)C4030.5Standard non polar33892256
2'-Deoxyinosine triphosphate,2TMS,isomer #6C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)O[Si](C)(C)C5808.6Standard polar33892256
2'-Deoxyinosine triphosphate,2TMS,isomer #7C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O)OP(=O)(O)OP(=O)(O)O3789.8Semi standard non polar33892256
2'-Deoxyinosine triphosphate,2TMS,isomer #7C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O)OP(=O)(O)OP(=O)(O)O4003.5Standard non polar33892256
2'-Deoxyinosine triphosphate,2TMS,isomer #7C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O)OP(=O)(O)OP(=O)(O)O6116.0Standard polar33892256
2'-Deoxyinosine triphosphate,2TMS,isomer #8C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O3694.1Semi standard non polar33892256
2'-Deoxyinosine triphosphate,2TMS,isomer #8C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O4044.7Standard non polar33892256
2'-Deoxyinosine triphosphate,2TMS,isomer #8C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O5800.7Standard polar33892256
2'-Deoxyinosine triphosphate,2TMS,isomer #9C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O3794.1Semi standard non polar33892256
2'-Deoxyinosine triphosphate,2TMS,isomer #9C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O4017.9Standard non polar33892256
2'-Deoxyinosine triphosphate,2TMS,isomer #9C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O6122.6Standard polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3627.0Semi standard non polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3977.6Standard non polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O5471.9Standard polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #10C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3671.1Semi standard non polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #10C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4017.4Standard non polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #10C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C5320.4Standard polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #11C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O)O[Si](C)(C)C3755.7Semi standard non polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #11C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O)O[Si](C)(C)C4017.2Standard non polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #11C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O)O[Si](C)(C)C5628.2Standard polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #12C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O3662.0Semi standard non polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #12C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O4025.4Standard non polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #12C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O5307.2Standard polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #13C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O3758.2Semi standard non polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #13C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O4030.5Standard non polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #13C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O5599.9Standard polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #14C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O3760.5Semi standard non polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #14C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O3995.6Standard non polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #14C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O5651.3Standard polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C3636.8Semi standard non polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C3966.7Standard non polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C5576.5Standard polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O3724.9Semi standard non polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O3940.3Standard non polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O5839.7Standard polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #4C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C3623.1Semi standard non polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #4C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C3979.1Standard non polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #4C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C5540.0Standard polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #5C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3725.4Semi standard non polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #5C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3946.7Standard non polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #5C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O5816.9Standard polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #6C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3626.4Semi standard non polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #6C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3948.9Standard non polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #6C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C5603.4Standard polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #7C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C3714.0Semi standard non polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #7C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C3940.5Standard non polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #7C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C5895.4Standard polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #8C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)O[Si](C)(C)C3664.8Semi standard non polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #8C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)O[Si](C)(C)C4047.6Standard non polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #8C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)O[Si](C)(C)C5284.2Standard polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #9C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3766.2Semi standard non polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #9C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O4025.7Standard non polar33892256
2'-Deoxyinosine triphosphate,3TMS,isomer #9C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O5538.6Standard polar33892256
2'-Deoxyinosine triphosphate,4TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C3638.2Semi standard non polar33892256
2'-Deoxyinosine triphosphate,4TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C3959.5Standard non polar33892256
2'-Deoxyinosine triphosphate,4TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C5065.1Standard polar33892256
2'-Deoxyinosine triphosphate,4TMS,isomer #10C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3778.7Semi standard non polar33892256
2'-Deoxyinosine triphosphate,4TMS,isomer #10C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3971.7Standard non polar33892256
2'-Deoxyinosine triphosphate,4TMS,isomer #10C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C5212.3Standard polar33892256
2'-Deoxyinosine triphosphate,4TMS,isomer #11C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O3770.2Semi standard non polar33892256
2'-Deoxyinosine triphosphate,4TMS,isomer #11C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O3978.6Standard non polar33892256
2'-Deoxyinosine triphosphate,4TMS,isomer #11C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O5182.5Standard polar33892256
2'-Deoxyinosine triphosphate,4TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3730.3Semi standard non polar33892256
2'-Deoxyinosine triphosphate,4TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3922.7Standard non polar33892256
2'-Deoxyinosine triphosphate,4TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O5319.4Standard polar33892256
2'-Deoxyinosine triphosphate,4TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3641.4Semi standard non polar33892256
2'-Deoxyinosine triphosphate,4TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3927.3Standard non polar33892256
2'-Deoxyinosine triphosphate,4TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C5124.7Standard polar33892256
2'-Deoxyinosine triphosphate,4TMS,isomer #4C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C3738.8Semi standard non polar33892256
2'-Deoxyinosine triphosphate,4TMS,isomer #4C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C3910.4Standard non polar33892256
2'-Deoxyinosine triphosphate,4TMS,isomer #4C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C5428.9Standard polar33892256
2'-Deoxyinosine triphosphate,4TMS,isomer #5C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3631.2Semi standard non polar33892256
2'-Deoxyinosine triphosphate,4TMS,isomer #5C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3931.2Standard non polar33892256
2'-Deoxyinosine triphosphate,4TMS,isomer #5C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C5091.2Standard polar33892256
2'-Deoxyinosine triphosphate,4TMS,isomer #6C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C3730.6Semi standard non polar33892256
2'-Deoxyinosine triphosphate,4TMS,isomer #6C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C3919.3Standard non polar33892256
2'-Deoxyinosine triphosphate,4TMS,isomer #6C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C5379.0Standard polar33892256
2'-Deoxyinosine triphosphate,4TMS,isomer #7C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3738.4Semi standard non polar33892256
2'-Deoxyinosine triphosphate,4TMS,isomer #7C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3891.5Standard non polar33892256
2'-Deoxyinosine triphosphate,4TMS,isomer #7C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C5452.8Standard polar33892256
2'-Deoxyinosine triphosphate,4TMS,isomer #8C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3668.7Semi standard non polar33892256
2'-Deoxyinosine triphosphate,4TMS,isomer #8C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4011.6Standard non polar33892256
2'-Deoxyinosine triphosphate,4TMS,isomer #8C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4838.7Standard polar33892256
2'-Deoxyinosine triphosphate,4TMS,isomer #9C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O)O[Si](C)(C)C3768.7Semi standard non polar33892256
2'-Deoxyinosine triphosphate,4TMS,isomer #9C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O)O[Si](C)(C)C4006.9Standard non polar33892256
2'-Deoxyinosine triphosphate,4TMS,isomer #9C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O)O[Si](C)(C)C5158.9Standard polar33892256
2'-Deoxyinosine triphosphate,5TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3655.2Semi standard non polar33892256
2'-Deoxyinosine triphosphate,5TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3880.5Standard non polar33892256
2'-Deoxyinosine triphosphate,5TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4623.4Standard polar33892256
2'-Deoxyinosine triphosphate,5TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C3753.7Semi standard non polar33892256
2'-Deoxyinosine triphosphate,5TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C3867.2Standard non polar33892256
2'-Deoxyinosine triphosphate,5TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C4935.2Standard polar33892256
2'-Deoxyinosine triphosphate,5TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3761.4Semi standard non polar33892256
2'-Deoxyinosine triphosphate,5TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3835.1Standard non polar33892256
2'-Deoxyinosine triphosphate,5TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C5010.2Standard polar33892256
2'-Deoxyinosine triphosphate,5TMS,isomer #4C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3752.8Semi standard non polar33892256
2'-Deoxyinosine triphosphate,5TMS,isomer #4C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3840.9Standard non polar33892256
2'-Deoxyinosine triphosphate,5TMS,isomer #4C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4958.1Standard polar33892256
2'-Deoxyinosine triphosphate,5TMS,isomer #5C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3797.0Semi standard non polar33892256
2'-Deoxyinosine triphosphate,5TMS,isomer #5C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3918.3Standard non polar33892256
2'-Deoxyinosine triphosphate,5TMS,isomer #5C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4720.8Standard polar33892256
2'-Deoxyinosine triphosphate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O3963.3Semi standard non polar33892256
2'-Deoxyinosine triphosphate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)OP(=O)(O)OP(=O)(O)O4018.1Semi standard non polar33892256
2'-Deoxyinosine triphosphate,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O4023.6Semi standard non polar33892256
2'-Deoxyinosine triphosphate,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O4005.5Semi standard non polar33892256
2'-Deoxyinosine triphosphate,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)N1C=NC(=O)C2=C1N([C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1)C=N24094.4Semi standard non polar33892256
2'-Deoxyinosine triphosphate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O4051.7Semi standard non polar33892256
2'-Deoxyinosine triphosphate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O4290.6Standard non polar33892256
2'-Deoxyinosine triphosphate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O6112.8Standard polar33892256
2'-Deoxyinosine triphosphate,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O4075.3Semi standard non polar33892256
2'-Deoxyinosine triphosphate,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O4302.0Standard non polar33892256
2'-Deoxyinosine triphosphate,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O5979.8Standard polar33892256
2'-Deoxyinosine triphosphate,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)C[C@@H]1O4230.4Semi standard non polar33892256
2'-Deoxyinosine triphosphate,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)C[C@@H]1O4329.6Standard non polar33892256
2'-Deoxyinosine triphosphate,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)C[C@@H]1O6182.3Standard polar33892256
2'-Deoxyinosine triphosphate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O4055.1Semi standard non polar33892256
2'-Deoxyinosine triphosphate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O4299.4Standard non polar33892256
2'-Deoxyinosine triphosphate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O6095.8Standard polar33892256
2'-Deoxyinosine triphosphate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C4036.5Semi standard non polar33892256
2'-Deoxyinosine triphosphate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C4304.5Standard non polar33892256
2'-Deoxyinosine triphosphate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C6160.4Standard polar33892256
2'-Deoxyinosine triphosphate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O4192.3Semi standard non polar33892256
2'-Deoxyinosine triphosphate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O4276.0Standard non polar33892256
2'-Deoxyinosine triphosphate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O6348.6Standard polar33892256
2'-Deoxyinosine triphosphate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O4094.5Semi standard non polar33892256
2'-Deoxyinosine triphosphate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O4335.6Standard non polar33892256
2'-Deoxyinosine triphosphate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O5855.8Standard polar33892256
2'-Deoxyinosine triphosphate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C4077.6Semi standard non polar33892256
2'-Deoxyinosine triphosphate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C4332.3Standard non polar33892256
2'-Deoxyinosine triphosphate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C5943.0Standard polar33892256
2'-Deoxyinosine triphosphate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)C[C@@H]1O)OP(=O)(O)OP(=O)(O)O4230.8Semi standard non polar33892256
2'-Deoxyinosine triphosphate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)C[C@@H]1O)OP(=O)(O)OP(=O)(O)O4316.2Standard non polar33892256
2'-Deoxyinosine triphosphate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)C[C@@H]1O)OP(=O)(O)OP(=O)(O)O6141.4Standard polar33892256
2'-Deoxyinosine triphosphate,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O4086.6Semi standard non polar33892256
2'-Deoxyinosine triphosphate,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O4345.9Standard non polar33892256
2'-Deoxyinosine triphosphate,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O5909.7Standard polar33892256
2'-Deoxyinosine triphosphate,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)C[C@@H]1O4239.1Semi standard non polar33892256
2'-Deoxyinosine triphosphate,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)C[C@@H]1O4325.1Standard non polar33892256
2'-Deoxyinosine triphosphate,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)C[C@@H]1O6127.2Standard polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O4179.6Semi standard non polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O4433.2Standard non polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O5564.4Standard polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4220.9Semi standard non polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4435.6Standard non polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C5492.6Standard polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C4342.4Semi standard non polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C4456.9Standard non polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C5739.6Standard polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O4210.5Semi standard non polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O4445.1Standard non polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O5447.4Standard polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)C[C@@H]1O4345.1Semi standard non polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)C[C@@H]1O4471.4Standard non polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)C[C@@H]1O5674.6Standard polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)C[C@@H]1O4344.2Semi standard non polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)C[C@@H]1O4421.1Standard non polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)C[C@@H]1O5775.9Standard polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C4175.8Semi standard non polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C4431.2Standard non polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C5677.8Standard polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O4308.3Semi standard non polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O4404.5Standard non polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O5892.0Standard polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C4172.9Semi standard non polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C4446.6Standard non polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C5612.0Standard polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O4307.9Semi standard non polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O4414.9Standard non polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O5841.2Standard polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4173.5Semi standard non polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4397.3Standard non polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2[NH]C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C5721.2Standard polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C4304.4Semi standard non polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C4414.4Standard non polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C5934.3Standard polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C4208.5Semi standard non polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C4487.2Standard non polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C5400.2Standard polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O4342.9Semi standard non polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O4459.7Standard non polar33892256
2'-Deoxyinosine triphosphate,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O5633.4Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 2'-Deoxyinosine triphosphate GC-MS (Non-derivatized) - 70eV, Positivesplash10-0c2a-9783500000-aa0125a217188c7947c62017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2'-Deoxyinosine triphosphate GC-MS (1 TMS) - 70eV, Positivesplash10-0002-9461120000-3124f5b05f1627f4eec92017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2'-Deoxyinosine triphosphate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2'-Deoxyinosine triphosphate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2'-Deoxyinosine triphosphate 10V, Positive-QTOFsplash10-000i-0901200000-094550daf6257cf48e862015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2'-Deoxyinosine triphosphate 20V, Positive-QTOFsplash10-000i-0900000000-7da6dbb92e894a102ada2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2'-Deoxyinosine triphosphate 40V, Positive-QTOFsplash10-000i-1910000000-297ae75d9d85a395a0192015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2'-Deoxyinosine triphosphate 10V, Negative-QTOFsplash10-0006-0220900000-05764a0399ea663bda0a2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2'-Deoxyinosine triphosphate 20V, Negative-QTOFsplash10-002r-7940100000-7be6289aa2147474bbc82015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2'-Deoxyinosine triphosphate 40V, Negative-QTOFsplash10-056r-9710000000-4a8af53537c11f3268fe2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2'-Deoxyinosine triphosphate 10V, Negative-QTOFsplash10-0006-0001900000-782c2e9109d8585c1eec2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2'-Deoxyinosine triphosphate 20V, Negative-QTOFsplash10-004l-7613900000-af9cb037c1346339427b2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2'-Deoxyinosine triphosphate 40V, Negative-QTOFsplash10-004i-9101000000-04cea8b7d7b629572e4b2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2'-Deoxyinosine triphosphate 10V, Positive-QTOFsplash10-000i-0900000000-b2e36fb98660834d7d242021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2'-Deoxyinosine triphosphate 20V, Positive-QTOFsplash10-000i-0900000000-b2e36fb98660834d7d242021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2'-Deoxyinosine triphosphate 40V, Positive-QTOFsplash10-000i-0921000000-baeff84496f2b6c02a0a2021-09-23Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB023190
KNApSAcK IDNot Available
Chemspider ID129052
KEGG Compound IDC01345
BioCyc IDNot Available
BiGG ID37399
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound146302
PDB IDNot Available
ChEBI ID28807
Food Biomarker OntologyNot Available
VMH IDDITP
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Lin S, McLennan AG, Ying K, Wang Z, Gu S, Jin H, Wu C, Liu W, Yuan Y, Tang R, Xie Y, Mao Y: Cloning, expression, and characterization of a human inosine triphosphate pyrophosphatase encoded by the itpa gene. J Biol Chem. 2001 Jun 1;276(22):18695-701. Epub 2001 Mar 13. [PubMed:11278832 ]

Enzymes

Enzyme Details
1. Nucleoside diphosphate kinase, mitochondrial
General function:
Involved in nucleoside diphosphate kinase activity
Specific function:
Major role in the synthesis of nucleoside triphosphates other than ATP (By similarity).
Gene Name:
NME4
Uniprot ID:
O00746
Molecular weight:
20658.45
Reactions
Adenosine triphosphate + dIDP → ADP + 2'-Deoxyinosine triphosphatedetails
Enzyme Details
2. Nucleoside diphosphate kinase A
General function:
Involved in nucleoside diphosphate kinase activity
Specific function:
Major role in the synthesis of nucleoside triphosphates other than ATP. Possesses nucleoside-diphosphate kinase, serine/threonine-specific protein kinase, geranyl and farnesyl pyrophosphate kinase, histidine protein kinase and 3'-5' exonuclease activities. Involved in cell proliferation, differentiation and development, signal transduction, G protein-coupled receptor endocytosis, and gene expression. Required for neural development including neural patterning and cell fate determination.
Gene Name:
NME1
Uniprot ID:
P15531
Molecular weight:
17148.635
Reactions
Adenosine triphosphate + dIDP → ADP + 2'-Deoxyinosine triphosphatedetails
Enzyme Details
3. Nucleoside diphosphate kinase 7
General function:
Involved in nucleoside diphosphate kinase activity
Specific function:
Major role in the synthesis of nucleoside triphosphates other than ATP. The ATP gamma phosphate is transferred to the NDP beta phosphate via a ping-pong mechanism, using a phosphorylated active-site intermediate.
Gene Name:
NME7
Uniprot ID:
Q9Y5B8
Molecular weight:
42491.365
Reactions
Adenosine triphosphate + dIDP → ADP + 2'-Deoxyinosine triphosphatedetails
Enzyme Details
4. Nucleoside diphosphate kinase B
General function:
Involved in nucleoside diphosphate kinase activity
Specific function:
Major role in the synthesis of nucleoside triphosphates other than ATP. Negatively regulates Rho activity by interacting with AKAP13/LBC. Acts as a transcriptional activator of the MYC gene; binds DNA non-specifically (PubMed:8392752). Exhibits histidine protein kinase activity.
Gene Name:
NME2
Uniprot ID:
P22392
Molecular weight:
30136.92
Reactions
Adenosine triphosphate + dIDP → ADP + 2'-Deoxyinosine triphosphatedetails
Enzyme Details
5. Nucleoside diphosphate kinase 3
General function:
Involved in nucleoside diphosphate kinase activity
Specific function:
Major role in the synthesis of nucleoside triphosphates other than ATP. The ATP gamma phosphate is transferred to the NDP beta phosphate via a ping-pong mechanism, using a phosphorylated active-site intermediate. Probably has a role in normal hematopoiesis by inhibition of granulocyte differentiation and induction of apoptosis.
Gene Name:
NME3
Uniprot ID:
Q13232
Molecular weight:
19014.85
Reactions
Adenosine triphosphate + dIDP → ADP + 2'-Deoxyinosine triphosphatedetails
Enzyme Details
6. Nucleoside diphosphate kinase 6
General function:
Involved in nucleoside diphosphate kinase activity
Specific function:
Major role in the synthesis of nucleoside triphosphates other than ATP. The ATP gamma phosphate is transferred to the NDP beta phosphate via a ping-pong mechanism, using a phosphorylated active-site intermediate. Inhibitor of p53-induced apoptosis.
Gene Name:
NME6
Uniprot ID:
O75414
Molecular weight:
22002.965
Reactions
Adenosine triphosphate + dIDP → ADP + 2'-Deoxyinosine triphosphatedetails
Enzyme Details
7. Inosine triphosphate pyrophosphatase
General function:
Involved in hydrolase activity
Specific function:
Pyrophosphatase that hydrolyzes the non-canonical purine nucleotides inosine triphosphate (ITP), deoxyinosine triphosphate (dITP) as well as 2'-deoxy-N-6-hydroxylaminopurine triposphate (dHAPTP) and xanthosine 5'-triphosphate (XTP) to their respective monophosphate derivatives. The enzyme does not distinguish between the deoxy- and ribose forms. Probably excludes non-canonical purines from RNA and DNA precursor pools, thus preventing their incorporation into RNA and DNA and avoiding chromosomal lesions.
Gene Name:
ITPA
Uniprot ID:
Q9BY32
Molecular weight:
16833.23
Reactions
2'-Deoxyinosine triphosphate + Water → dIMP + Pyrophosphatedetails
Enzyme Details
8. Nucleoside diphosphate kinase homolog 5
General function:
Not Available
Specific function:
Does not seem to have NDK kinase activity. Confers protection from cell death by Bax and alters the cellular levels of several antioxidant enzymes including Gpx5. May play a role in spermiogenesis by increasing the ability of late-stage spermatids to eliminate reactive oxygen species (By similarity).
Gene Name:
NME5
Uniprot ID:
P56597
Molecular weight:
Not Available
Reactions
Adenosine triphosphate + dIDP → ADP + 2'-Deoxyinosine triphosphatedetails