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Showing metabocard for Adenosine 5'-pentaphosphate (HMDB0059647)

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enzymes (2) Show 2 proteins
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-10-30 10:32:48 UTC
Update Date2022-03-07 03:17:34 UTC
HMDB IDHMDB0059647
Secondary Accession Numbers
  • HMDB59647
Metabolite Identification
Common NameAdenosine 5'-pentaphosphate
DescriptionAdenosine 5'-pentaphosphate, also known as pppppa, belongs to the class of organic compounds known as purine ribonucleoside polyphosphates. These are purine ribobucleotides with polyphosphate (with 4 or more phosphate) group linked to the ribose moiety. Adenosine 5'-pentaphosphate is a strong basic compound (based on its pKa). Adenosine 5'-pentaphosphate exists in all living organisms, ranging from bacteria to humans. A nucleoside pentaphosphate that is adenosine in which a hexahydrogen pentaphosphate is attached at the 5' position.
Structure
Data?1563865960
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0059647 (Adenosine 5'-pentaphosphate)


  Mrv0541 02231216252D          

 39 41  0  0  1  0            999 V2000
   -8.0591    2.3987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3054    2.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6380    2.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5518    3.3686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7448    3.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3323    2.8256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5118    2.7394    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9598    3.3525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2061    3.0169    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4916    3.4294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7772    3.0169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0627    3.4294    0.0000 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6502    2.7150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4752    4.1439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3482    3.8419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3663    3.4294    0.0000 P   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0462    2.7150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7788    4.1439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0807    3.0169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7952    3.4294    0.0000 P   0  0  1  0  0  0  0  0  0  0  0  0
    2.2077    2.7150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3827    4.1439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5097    3.8419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2241    3.4294    0.0000 P   0  0  1  0  0  0  0  0  0  0  0  0
    2.8116    2.7150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6366    4.1439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9386    3.0169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6531    3.4294    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.3676    3.8419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    2.7150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2406    4.1439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2923    2.1964    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6792    1.6444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0993    2.0249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.4349    1.2712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8843    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7981    1.3920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4655    0.9071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2192    1.2427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
 10 11  1  0  0  0  0
 12 11  1  1  0  0  0
 12 13  1  6  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 16 15  1  6  0  0  0
 16 17  1  1  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 20 19  1  1  0  0  0
 20 21  1  6  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 24 23  1  1  0  0  0
 24 25  1  6  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  2  0  0  0  0
  9 32  1  0  0  0  0
 32 33  1  1  0  0  0
 32 34  1  0  0  0  0
  7 34  1  0  0  0  0
 34 35  1  1  0  0  0
  6 36  1  0  0  0  0
  3 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
  2 39  1  0  0  0  0
M  END
Download

3D MOL for HMDB0059647 (Adenosine 5'-pentaphosphate)

HMDB0059647
     RDKit          3D
Adenosine 5'-pentaphosphate
 57 59  0  0  0  0  0  0  0  0999 V2000
   -9.3535    2.2382   -1.8451 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3773    2.0582   -0.8348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3418    2.8019    0.2816 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3961    2.5900    1.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4679    1.6307    1.0323 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4483    0.8478   -0.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4108    1.0652   -1.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1853    0.1761   -1.9938 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0968   -0.5658   -1.6464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6311   -0.1603   -0.4572 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5214   -0.6349    0.3024 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3490    0.0926    0.0635 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3576   -0.6395    0.7079 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9852   -0.3777    0.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0731   -1.1511    0.8373 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5050   -0.9406    0.2766 P   0  0  2  0  0  5  0  0  0  0  0  0
    2.0740   -2.2982   -0.0620 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3870   -0.2016    1.5400 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5748    0.0957   -1.0501 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542    0.6650   -1.2328 P   0  0  1  0  0  5  0  0  0  0  0  0
    4.0256   -0.4773   -1.7342 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1354    1.8578   -2.4337 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7644    1.3205    0.1953 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3790    0.8676    0.3342 P   0  0  2  0  0  5  0  0  0  0  0  0
    5.9140    0.5530   -1.0489 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4617   -0.5137    1.2972 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3383    2.1043    0.9667 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9669    1.6574    0.7384 P   0  0  2  0  0  5  0  0  0  0  0  0
    8.8673    2.4790    1.6354 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3628    1.9727   -0.8657 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1878    0.0424    1.1430 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2282   -0.7643    0.1133 P   0  0  0  0  0  5  0  0  0  0  0  0
    8.6156   -0.9602   -1.2624 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5645   -2.2861    0.7922 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7097    0.0323   -0.0645 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7108   -2.0903    0.5606 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8884   -2.7186    1.8027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0778   -2.0242   -0.1073 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9293   -3.0141    0.3248 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0827    1.5243   -1.9784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3334    3.0763   -2.4410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3929    3.2166    2.1122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6643   -1.3648   -2.2341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6840   -0.6014    1.3983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3652   -0.3057    1.7734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0014   -0.7870   -0.9202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7312    0.6797    0.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3700   -0.8079    2.3224 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8122    2.6880   -2.0348 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1911   -1.2942    0.7734 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0212    1.3427   -1.2339 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7287   -2.8093    0.7135 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7253    0.8983    0.3967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9900   -2.6443   -0.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8461   -2.8183    2.0228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8860   -2.0449   -1.1974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4858   -3.2782   -0.4747 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  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
 14 15  1  0
 16 15  1  1
 16 17  2  0
 16 18  1  0
 16 19  1  0
 20 19  1  1
 20 21  2  0
 20 22  1  0
 20 23  1  0
 24 23  1  6
 24 25  2  0
 24 26  1  0
 24 27  1  0
 28 27  1  6
 28 29  2  0
 28 30  1  0
 28 31  1  0
 31 32  1  0
 32 33  2  0
 32 34  1  0
 32 35  1  0
 13 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
  7  2  1  0
 38 11  1  0
 10  6  1  0
  1 40  1  0
  1 41  1  0
  4 42  1  0
  9 43  1  0
 11 44  1  1
 13 45  1  1
 14 46  1  0
 14 47  1  0
 18 48  1  0
 22 49  1  0
 26 50  1  0
 30 51  1  0
 34 52  1  0
 35 53  1  0
 36 54  1  6
 37 55  1  0
 38 56  1  6
 39 57  1  0
M  END
Download

3D SDF for HMDB0059647 (Adenosine 5'-pentaphosphate)


  Mrv0541 02231216252D          

 39 41  0  0  1  0            999 V2000
   -8.0591    2.3987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3054    2.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6380    2.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5518    3.3686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7448    3.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3323    2.8256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5118    2.7394    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9598    3.3525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2061    3.0169    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4916    3.4294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7772    3.0169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0627    3.4294    0.0000 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6502    2.7150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4752    4.1439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3482    3.8419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3663    3.4294    0.0000 P   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0462    2.7150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7788    4.1439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0807    3.0169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7952    3.4294    0.0000 P   0  0  1  0  0  0  0  0  0  0  0  0
    2.2077    2.7150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3827    4.1439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5097    3.8419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2241    3.4294    0.0000 P   0  0  1  0  0  0  0  0  0  0  0  0
    2.8116    2.7150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6366    4.1439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9386    3.0169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6531    3.4294    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.3676    3.8419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    2.7150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2406    4.1439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2923    2.1964    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6792    1.6444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0993    2.0249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.4349    1.2712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8843    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7981    1.3920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4655    0.9071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2192    1.2427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
 10 11  1  0  0  0  0
 12 11  1  1  0  0  0
 12 13  1  6  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 16 15  1  6  0  0  0
 16 17  1  1  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 20 19  1  1  0  0  0
 20 21  1  6  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 24 23  1  1  0  0  0
 24 25  1  6  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  2  0  0  0  0
  9 32  1  0  0  0  0
 32 33  1  1  0  0  0
 32 34  1  0  0  0  0
  7 34  1  0  0  0  0
 34 35  1  1  0  0  0
  6 36  1  0  0  0  0
  3 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
  2 39  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0059647

> <DATABASE_NAME>
hmdb

> <SMILES>
NC1=C2N=CN([C@@H]3O[C@H](CO[P@@](O)(=O)O[P@](O)(=O)O[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1

> <INCHI_IDENTIFIER>
InChI=1S/C10H18N5O19P5/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(30-10)1-29-36(21,22)32-38(25,26)34-39(27,28)33-37(23,24)31-35(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

> <INCHI_KEY>
WYJWVZZCMBUPSP-KQYNXXCUSA-N

> <FORMULA>
C10H18N5O19P5

> <MOLECULAR_WEIGHT>
667.1408

> <EXACT_MASS>
666.928405979

> <JCHEM_ACCEPTOR_COUNT>
18

> <JCHEM_AVERAGE_POLARIZABILITY>
47.61047511582346

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[({[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]phosphonic acid

> <ALOGPS_LOGP>
0.44

> <JCHEM_LOGP>
-8.19848031989204

> <ALOGPS_LOGS>
-2.08

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-5

> <JCHEM_PKA>
1.1737481125150913

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.4165114763639113

> <JCHEM_PKA_STRONGEST_BASIC>
4.997281373508824

> <JCHEM_POLAR_SURFACE_AREA>
372.18999999999994

> <JCHEM_REFRACTIVITY>
117.56009999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.58e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
adenosine-5'-pentaphosphate

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0059647 (Adenosine 5'-pentaphosphate)

HMDB0059647
     RDKit          3D
Adenosine 5'-pentaphosphate
 57 59  0  0  0  0  0  0  0  0999 V2000
   -9.3535    2.2382   -1.8451 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3773    2.0582   -0.8348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3418    2.8019    0.2816 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3961    2.5900    1.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4679    1.6307    1.0323 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4483    0.8478   -0.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4108    1.0652   -1.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1853    0.1761   -1.9938 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0968   -0.5658   -1.6464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6311   -0.1603   -0.4572 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5214   -0.6349    0.3024 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3490    0.0926    0.0635 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3576   -0.6395    0.7079 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9852   -0.3777    0.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0731   -1.1511    0.8373 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5050   -0.9406    0.2766 P   0  0  2  0  0  5  0  0  0  0  0  0
    2.0740   -2.2982   -0.0620 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3870   -0.2016    1.5400 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5748    0.0957   -1.0501 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542    0.6650   -1.2328 P   0  0  1  0  0  5  0  0  0  0  0  0
    4.0256   -0.4773   -1.7342 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1354    1.8578   -2.4337 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7644    1.3205    0.1953 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3790    0.8676    0.3342 P   0  0  2  0  0  5  0  0  0  0  0  0
    5.9140    0.5530   -1.0489 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4617   -0.5137    1.2972 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3383    2.1043    0.9667 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9669    1.6574    0.7384 P   0  0  2  0  0  5  0  0  0  0  0  0
    8.8673    2.4790    1.6354 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3628    1.9727   -0.8657 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1878    0.0424    1.1430 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2282   -0.7643    0.1133 P   0  0  0  0  0  5  0  0  0  0  0  0
    8.6156   -0.9602   -1.2624 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5645   -2.2861    0.7922 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7097    0.0323   -0.0645 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7108   -2.0903    0.5606 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8884   -2.7186    1.8027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0778   -2.0242   -0.1073 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9293   -3.0141    0.3248 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0827    1.5243   -1.9784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3334    3.0763   -2.4410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3929    3.2166    2.1122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6643   -1.3648   -2.2341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6840   -0.6014    1.3983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3652   -0.3057    1.7734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0014   -0.7870   -0.9202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7312    0.6797    0.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3700   -0.8079    2.3224 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8122    2.6880   -2.0348 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1911   -1.2942    0.7734 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0212    1.3427   -1.2339 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7287   -2.8093    0.7135 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7253    0.8983    0.3967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9900   -2.6443   -0.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8461   -2.8183    2.0228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8860   -2.0449   -1.1974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4858   -3.2782   -0.4747 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  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
 14 15  1  0
 16 15  1  1
 16 17  2  0
 16 18  1  0
 16 19  1  0
 20 19  1  1
 20 21  2  0
 20 22  1  0
 20 23  1  0
 24 23  1  6
 24 25  2  0
 24 26  1  0
 24 27  1  0
 28 27  1  6
 28 29  2  0
 28 30  1  0
 28 31  1  0
 31 32  1  0
 32 33  2  0
 32 34  1  0
 32 35  1  0
 13 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
  7  2  1  0
 38 11  1  0
 10  6  1  0
  1 40  1  0
  1 41  1  0
  4 42  1  0
  9 43  1  0
 11 44  1  1
 13 45  1  1
 14 46  1  0
 14 47  1  0
 18 48  1  0
 22 49  1  0
 26 50  1  0
 30 51  1  0
 34 52  1  0
 35 53  1  0
 36 54  1  6
 37 55  1  0
 38 56  1  6
 39 57  1  0
M  END
Download

PDB for HMDB0059647 (Adenosine 5'-pentaphosphate)

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  N   UNK     0     -15.044   4.478   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0     -13.637   3.851   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -12.391   4.756   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0     -12.230   6.288   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0     -10.724   6.608   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      -9.954   5.274   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      -8.422   5.114   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -7.392   6.258   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -5.985   5.632   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -4.651   6.402   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -3.317   5.632   0.000  0.00  0.00           O+0
HETATM   12  P   UNK     0      -1.984   6.402   0.000  0.00  0.00           P+0
HETATM   13  O   UNK     0      -1.214   5.068   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      -2.754   7.735   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      -0.650   7.172   0.000  0.00  0.00           O+0
HETATM   16  P   UNK     0       0.684   6.402   0.000  0.00  0.00           P+0
HETATM   17  O   UNK     0      -0.086   5.068   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       1.454   7.735   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       2.017   5.632   0.000  0.00  0.00           O+0
HETATM   20  P   UNK     0       3.351   6.402   0.000  0.00  0.00           P+0
HETATM   21  O   UNK     0       4.121   5.068   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       2.581   7.735   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       4.685   7.172   0.000  0.00  0.00           O+0
HETATM   24  P   UNK     0       6.018   6.402   0.000  0.00  0.00           P+0
HETATM   25  O   UNK     0       5.248   5.068   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       6.788   7.735   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       7.352   5.632   0.000  0.00  0.00           O+0
HETATM   28  P   UNK     0       8.686   6.402   0.000  0.00  0.00           P+0
HETATM   29  O   UNK     0      10.020   7.172   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       9.456   5.068   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       7.916   7.735   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      -6.146   4.100   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -5.001   3.070   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      -7.652   3.780   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      -8.278   2.373   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0     -10.984   4.130   0.000  0.00  0.00           C+0
HETATM   37  N   UNK     0     -10.823   2.598   0.000  0.00  0.00           N+0
HETATM   38  C   UNK     0     -12.069   1.693   0.000  0.00  0.00           C+0
HETATM   39  N   UNK     0     -13.476   2.320   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3   39                                                  
CONECT    3    2    4   36                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   36                                                  
CONECT    7    6    8   34                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   32                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14   15                                             
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15   12   16                                                       
CONECT   16   15   17   18   19                                             
CONECT   17   16                                                            
CONECT   18   16                                                            
CONECT   19   16   20                                                       
CONECT   20   19   21   22   23                                             
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23   20   24                                                       
CONECT   24   23   25   26   27                                             
CONECT   25   24                                                            
CONECT   26   24                                                            
CONECT   27   24   28                                                       
CONECT   28   27   29   30   31                                             
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31   28                                                            
CONECT   32    9   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32    7   35                                                  
CONECT   35   34                                                            
CONECT   36    6    3   37                                                  
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38    2                                                       
MASTER        0    0    0    0    0    0    0    0   39    0   82    0
END
Download

3D PDB for HMDB0059647 (Adenosine 5'-pentaphosphate)

COMPND    HMDB0059647
HETATM    1  N1  UNL     1      -9.354   2.238  -1.845  1.00  0.00           N  
HETATM    2  C1  UNL     1      -8.377   2.058  -0.835  1.00  0.00           C  
HETATM    3  N2  UNL     1      -8.342   2.802   0.282  1.00  0.00           N  
HETATM    4  C2  UNL     1      -7.396   2.590   1.206  1.00  0.00           C  
HETATM    5  N3  UNL     1      -6.468   1.631   1.032  1.00  0.00           N  
HETATM    6  C3  UNL     1      -6.448   0.848  -0.069  1.00  0.00           C  
HETATM    7  C4  UNL     1      -7.411   1.065  -1.007  1.00  0.00           C  
HETATM    8  N4  UNL     1      -7.185   0.176  -1.994  1.00  0.00           N  
HETATM    9  C5  UNL     1      -6.097  -0.566  -1.646  1.00  0.00           C  
HETATM   10  N5  UNL     1      -5.631  -0.160  -0.457  1.00  0.00           N  
HETATM   11  C6  UNL     1      -4.521  -0.635   0.302  1.00  0.00           C  
HETATM   12  O1  UNL     1      -3.349   0.093   0.063  1.00  0.00           O  
HETATM   13  C7  UNL     1      -2.358  -0.640   0.708  1.00  0.00           C  
HETATM   14  C8  UNL     1      -0.985  -0.378   0.129  1.00  0.00           C  
HETATM   15  O2  UNL     1      -0.073  -1.151   0.837  1.00  0.00           O  
HETATM   16  P1  UNL     1       1.505  -0.941   0.277  1.00  0.00           P  
HETATM   17  O3  UNL     1       2.074  -2.298  -0.062  1.00  0.00           O  
HETATM   18  O4  UNL     1       2.387  -0.202   1.540  1.00  0.00           O  
HETATM   19  O5  UNL     1       1.575   0.096  -1.050  1.00  0.00           O  
HETATM   20  P2  UNL     1       3.154   0.665  -1.233  1.00  0.00           P  
HETATM   21  O6  UNL     1       4.026  -0.477  -1.734  1.00  0.00           O  
HETATM   22  O7  UNL     1       3.135   1.858  -2.434  1.00  0.00           O  
HETATM   23  O8  UNL     1       3.764   1.321   0.195  1.00  0.00           O  
HETATM   24  P3  UNL     1       5.379   0.868   0.334  1.00  0.00           P  
HETATM   25  O9  UNL     1       5.914   0.553  -1.049  1.00  0.00           O  
HETATM   26  O10 UNL     1       5.462  -0.514   1.297  1.00  0.00           O  
HETATM   27  O11 UNL     1       6.338   2.104   0.967  1.00  0.00           O  
HETATM   28  P4  UNL     1       7.967   1.657   0.738  1.00  0.00           P  
HETATM   29  O12 UNL     1       8.867   2.479   1.635  1.00  0.00           O  
HETATM   30  O13 UNL     1       8.363   1.973  -0.866  1.00  0.00           O  
HETATM   31  O14 UNL     1       8.188   0.042   1.143  1.00  0.00           O  
HETATM   32  P5  UNL     1       9.228  -0.764   0.113  1.00  0.00           P  
HETATM   33  O15 UNL     1       8.616  -0.960  -1.262  1.00  0.00           O  
HETATM   34  O16 UNL     1       9.565  -2.286   0.792  1.00  0.00           O  
HETATM   35  O17 UNL     1      10.710   0.032  -0.064  1.00  0.00           O  
HETATM   36  C9  UNL     1      -2.711  -2.090   0.561  1.00  0.00           C  
HETATM   37  O18 UNL     1      -2.888  -2.719   1.803  1.00  0.00           O  
HETATM   38  C10 UNL     1      -4.078  -2.024  -0.107  1.00  0.00           C  
HETATM   39  O19 UNL     1      -4.929  -3.014   0.325  1.00  0.00           O  
HETATM   40  H1  UNL     1     -10.083   1.524  -1.978  1.00  0.00           H  
HETATM   41  H2  UNL     1      -9.333   3.076  -2.441  1.00  0.00           H  
HETATM   42  H3  UNL     1      -7.393   3.217   2.112  1.00  0.00           H  
HETATM   43  H4  UNL     1      -5.664  -1.365  -2.234  1.00  0.00           H  
HETATM   44  H5  UNL     1      -4.684  -0.601   1.398  1.00  0.00           H  
HETATM   45  H6  UNL     1      -2.365  -0.306   1.773  1.00  0.00           H  
HETATM   46  H7  UNL     1      -1.001  -0.787  -0.920  1.00  0.00           H  
HETATM   47  H8  UNL     1      -0.731   0.680   0.076  1.00  0.00           H  
HETATM   48  H9  UNL     1       2.370  -0.808   2.322  1.00  0.00           H  
HETATM   49  H10 UNL     1       2.812   2.688  -2.035  1.00  0.00           H  
HETATM   50  H11 UNL     1       5.191  -1.294   0.773  1.00  0.00           H  
HETATM   51  H12 UNL     1       9.021   1.343  -1.234  1.00  0.00           H  
HETATM   52  H13 UNL     1       8.729  -2.809   0.714  1.00  0.00           H  
HETATM   53  H14 UNL     1      10.725   0.898   0.397  1.00  0.00           H  
HETATM   54  H15 UNL     1      -1.990  -2.644  -0.084  1.00  0.00           H  
HETATM   55  H16 UNL     1      -3.846  -2.818   2.023  1.00  0.00           H  
HETATM   56  H17 UNL     1      -3.886  -2.045  -1.197  1.00  0.00           H  
HETATM   57  H18 UNL     1      -5.486  -3.278  -0.475  1.00  0.00           H  
CONECT    1    2   40   41
CONECT    2    3    3    7
CONECT    3    4
CONECT    4    5    5   42
CONECT    5    6
CONECT    6    7    7   10
CONECT    7    8
CONECT    8    9    9
CONECT    9   10   43
CONECT   10   11
CONECT   11   12   38   44
CONECT   12   13
CONECT   13   14   36   45
CONECT   14   15   46   47
CONECT   15   16
CONECT   16   17   17   18   19
CONECT   18   48
CONECT   19   20
CONECT   20   21   21   22   23
CONECT   22   49
CONECT   23   24
CONECT   24   25   25   26   27
CONECT   26   50
CONECT   27   28
CONECT   28   29   29   30   31
CONECT   30   51
CONECT   31   32
CONECT   32   33   33   34   35
CONECT   34   52
CONECT   35   53
CONECT   36   37   38   54
CONECT   37   55
CONECT   38   39   56
CONECT   39   57
END
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SMILES for HMDB0059647 (Adenosine 5'-pentaphosphate)

NC1=C2N=CN([C@@H]3O[C@H](CO[P@@](O)(=O)O[P@](O)(=O)O[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1
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INCHI for HMDB0059647 (Adenosine 5'-pentaphosphate)

InChI=1S/C10H18N5O19P5/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(30-10)1-29-36(21,22)32-38(25,26)34-39(27,28)33-37(23,24)31-35(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
5'-O-[(S)-Hydroxy{[(R)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]adenosineChEBI
5'-O-[Hydroxy({hydroxy[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}oxy)phosphoryl]adenosineChEBI
ADENOSINE-5'-pentaphosphATEChEBI
PppppaChEBI
ADENOSINE-5'-pentaphosphoric acidGenerator
Adenosine 5'-pentaphosphoric acidGenerator
Adenosine 5'-(hexahydrogen pentaphosphoric acid)HMDB
Adenosine 5'-pentaphosphateChEBI
Chemical FormulaC10H18N5O19P5
Average Molecular Weight667.1408
Monoisotopic Molecular Weight666.928405979
IUPAC Name[({[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]phosphonic acid
Traditional Nameadenosine-5'-pentaphosphate
CAS Registry NumberNot Available
SMILES
NC1=C2N=CN([C@@H]3O[C@H](CO[P@@](O)(=O)O[P@](O)(=O)O[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1
InChI Identifier
InChI=1S/C10H18N5O19P5/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(30-10)1-29-36(21,22)32-38(25,26)34-39(27,28)33-37(23,24)31-35(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChI KeyWYJWVZZCMBUPSP-KQYNXXCUSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as purine ribonucleoside polyphosphates. These are purine ribobucleotides with polyphosphate (with 4 or more phosphate) group linked to the ribose moiety.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassPurine nucleotides
Sub ClassPurine ribonucleotides
Direct ParentPurine ribonucleoside polyphosphates
Alternative Parents
Substituents
  • Purine ribonucleoside polyphosphate
  • Purine ribonucleoside monophosphate
  • Pentose phosphate
  • Pentose-5-phosphate
  • Glycosyl compound
  • N-glycosyl compound
  • 6-aminopurine
  • Monosaccharide phosphate
  • Pentose monosaccharide
  • Imidazopyrimidine
  • Purine
  • Aminopyrimidine
  • Monoalkyl phosphate
  • Monosaccharide
  • N-substituted imidazole
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Imidolactam
  • Alkyl phosphate
  • Pyrimidine
  • Azole
  • Tetrahydrofuran
  • Imidazole
  • Heteroaromatic compound
  • Secondary alcohol
  • 1,2-diol
  • Organoheterocyclic compound
  • Azacycle
  • Oxacycle
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic nitrogen compound
  • Organic oxide
  • Organopnictogen compound
  • Amine
  • Primary amine
  • Organic oxygen compound
  • Alcohol
  • Organonitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
DispositionNot Available
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
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
Water Solubility5.58 g/LALOGPS
logP0.44ALOGPS
logP-8.2ChemAxon
logS-2.1ALOGPS
pKa (Strongest Acidic)0.42ChemAxon
pKa (Strongest Basic)5ChemAxon
Physiological Charge-5ChemAxon
Hydrogen Acceptor Count18ChemAxon
Hydrogen Donor Count9ChemAxon
Polar Surface Area372.19 ŲChemAxon
Rotatable Bond Count12ChemAxon
Refractivity117.56 m³·mol⁻¹ChemAxon
Polarizability47.61 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]+236.86731661259
DarkChem[M-H]-220.19931661259
DeepCCS[M+H]+198.56430932474
DeepCCS[M-H]-196.82430932474
DeepCCS[M-2H]-230.85830932474
DeepCCS[M+Na]+204.63830932474
AllCCS[M+H]+217.232859911
AllCCS[M+H-H2O]+216.432859911
AllCCS[M+NH4]+218.032859911
AllCCS[M+Na]+218.232859911
AllCCS[M-H]-211.332859911
AllCCS[M+Na-2H]-212.632859911
AllCCS[M+HCOO]-214.232859911

Predicted Kovats Retention Indices

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Adenosine 5'-pentaphosphate,3TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C4756.8Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C4267.5Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C8245.7Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4793.8Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4350.1Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O8059.0Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #11C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O4816.7Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #11C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O4449.2Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #11C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O7941.8Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #12C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4809.6Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #12C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4371.8Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #12C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O8057.3Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #13C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4811.3Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #13C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4363.6Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #13C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O8093.7Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #14C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4797.8Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #14C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4358.6Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #14C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O8081.9Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #15C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O4814.1Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #15C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O4456.6Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #15C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O7949.6Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #16C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4810.8Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #16C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4369.9Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #16C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O8068.4Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #17C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4797.8Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #17C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4360.4Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #17C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O8068.6Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #18C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O4819.0Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #18C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O4459.3Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #18C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O7961.1Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #19C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4799.1Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #19C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4359.9Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #19C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O8073.2Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C4760.5Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C4271.9Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C8267.3Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #20C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O4812.4Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #20C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O4453.4Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #20C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O7964.9Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #21C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4789.4Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #21C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4326.3Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #21C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O8074.3Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #22C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O4802.7Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #22C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O4448.1Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #22C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O7988.5Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #23C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O4813.0Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #23C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O4467.2Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #23C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O8096.6Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #24C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C214808.8Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #24C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C214372.4Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #24C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C218041.9Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #25C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C214813.3Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #25C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C214368.1Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #25C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C218064.0Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #26C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C214814.5Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #26C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C214366.5Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #26C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C218076.0Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #27C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C214801.0Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #27C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C214357.6Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #27C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C218069.1Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #28C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C4823.5Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #28C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C4455.7Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #28C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C7956.5Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #29C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C214813.7Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #29C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C214378.5Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #29C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C218069.8Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C4762.0Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C4276.0Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C8256.8Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #30C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C214816.6Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #30C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C214370.5Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #30C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C218106.3Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #31C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C214803.9Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #31C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C214365.7Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #31C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C218094.4Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #32C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C4819.9Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #32C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C4462.8Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #32C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C7960.1Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #33C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C214816.4Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #33C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C214376.5Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #33C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C218080.9Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #34C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C214804.4Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #34C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C214367.2Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #34C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C218081.0Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #35C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C4825.1Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #35C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C4465.4Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #35C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C7971.4Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #36C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C214807.2Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #36C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C214366.9Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #36C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C218085.6Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #37C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C4818.6Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #37C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C4459.6Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #37C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C7975.4Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #38C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C214796.0Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #38C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C214333.3Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #38C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C218086.7Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #39C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C4808.5Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #39C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C4454.4Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #39C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C7998.8Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C4763.9Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C4268.7Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C8275.1Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #40C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C214822.5Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #40C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C214472.3Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #40C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C218106.7Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #41C[Si](C)(C)O[P@@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O4859.9Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #41C[Si](C)(C)O[P@@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O4501.6Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #41C[Si](C)(C)O[P@@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O7890.7Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #42C[Si](C)(C)O[P@](=O)(OP(=O)(O)O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C4859.9Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #42C[Si](C)(C)O[P@](=O)(OP(=O)(O)O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C4498.7Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #42C[Si](C)(C)O[P@](=O)(OP(=O)(O)O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C7926.8Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #43C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C4856.1Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #43C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C4487.5Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #43C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C7914.4Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #44C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O4877.3Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #44C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O4577.9Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #44C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O7729.9Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #45C[Si](C)(C)O[P@@](=O)(O[P@](=O)(O)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O4864.6Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #45C[Si](C)(C)O[P@@](=O)(O[P@](=O)(O)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O4497.7Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #45C[Si](C)(C)O[P@@](=O)(O[P@](=O)(O)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O7933.7Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #46C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C4861.3Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #46C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C4486.1Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #46C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C7932.6Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #47C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O4881.9Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #47C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O4574.6Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #47C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O7763.1Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #48C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C4861.3Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #48C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C4487.2Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #48C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C7931.9Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #49C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O4872.6Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #49C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O4571.6Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #49C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O7769.2Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C4749.9Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C4263.6Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C8269.5Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #50C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C4849.0Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #50C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C4454.2Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #50C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C7930.2Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #51C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O4868.8Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #51C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O4563.5Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #51C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O7795.2Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #52C[Si](C)(C)O[P@@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O4865.2Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #52C[Si](C)(C)O[P@@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O4573.7Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #52C[Si](C)(C)O[P@@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O7879.8Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #53C[Si](C)(C)O[P@](=O)(OP(=O)(O)O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O4859.2Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #53C[Si](C)(C)O[P@](=O)(OP(=O)(O)O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O4508.0Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #53C[Si](C)(C)O[P@](=O)(OP(=O)(O)O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O7941.3Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #54C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O4858.2Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #54C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O4496.7Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #54C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O7941.2Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #55C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O4881.3Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #55C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O4586.2Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #55C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O7753.9Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #56C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O4859.6Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #56C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O4495.7Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #56C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O7963.6Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #57C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O4873.2Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #57C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O4578.8Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #57C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O7767.8Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #58C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O4850.3Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #58C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O4464.7Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #58C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O7956.6Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #59C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O4871.3Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #59C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O4572.5Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #59C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O7800.8Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #6C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4792.2Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #6C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4366.9Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #6C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C8199.6Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #60C[Si](C)(C)O[P@](=O)(O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O4877.7Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #60C[Si](C)(C)O[P@](=O)(O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O4587.3Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #60C[Si](C)(C)O[P@](=O)(O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O7877.9Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #61C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O4860.1Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #61C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O4496.2Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #61C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O7932.4Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #62C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O4878.7Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #62C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O4583.0Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #62C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O7769.8Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #63C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O4850.5Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #63C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O4463.4Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #63C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O7948.1Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #64C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O4870.9Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #64C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O4573.7Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #64C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O7803.3Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #65C[Si](C)(C)O[P@](=O)(O[P@](=O)(O)OP(=O)(O)O)O[P@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4880.1Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #65C[Si](C)(C)O[P@](=O)(O[P@](=O)(O)OP(=O)(O)O)O[P@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4585.6Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #65C[Si](C)(C)O[P@](=O)(O[P@](=O)(O)OP(=O)(O)O)O[P@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O7892.0Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #66C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[P@@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O4849.2Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #66C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[P@@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O4459.6Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #66C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[P@@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O7934.0Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #67C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O4874.2Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #67C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O4574.0Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #67C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O7797.9Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #68C[Si](C)(C)O[P@](=O)(OP(=O)(O)O)O[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4876.7Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #68C[Si](C)(C)O[P@](=O)(OP(=O)(O)O)O[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4583.7Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #68C[Si](C)(C)O[P@](=O)(OP(=O)(O)O)O[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O7893.3Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #69C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O4862.4Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #69C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O4537.8Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #69C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O7809.9Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4804.5Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4365.4Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O8031.6Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #70C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4884.2Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #70C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4572.2Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #70C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O7924.4Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4808.9Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4361.1Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O8053.8Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #9C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4810.0Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #9C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4359.3Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #9C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O8065.6Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (Non-derivatized) - 70eV, Positivesplash10-054t-2431922000-2036d2f3b552dc7a85b12017-09-20Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_1_8) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_2_16) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adenosine 5'-pentaphosphate 10V, Positive-QTOFsplash10-000i-0911112000-c1b537247c28252d68562017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adenosine 5'-pentaphosphate 20V, Positive-QTOFsplash10-000i-0900000000-26929988d73ec77b2d9c2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adenosine 5'-pentaphosphate 40V, Positive-QTOFsplash10-000i-1900000000-2426047cff330cee488e2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adenosine 5'-pentaphosphate 10V, Negative-QTOFsplash10-0159-0601109000-2603df9b37801af04d832017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adenosine 5'-pentaphosphate 20V, Negative-QTOFsplash10-001i-3913000000-c70dc0bcb804798c82512017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adenosine 5'-pentaphosphate 40V, Negative-QTOFsplash10-004i-9511000000-b78813f701ddff0e18a22017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adenosine 5'-pentaphosphate 10V, Negative-QTOFsplash10-014i-0000009000-5637d5da5bf791bb90302021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adenosine 5'-pentaphosphate 20V, Negative-QTOFsplash10-014i-0109136000-083922c14d99f96818392021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adenosine 5'-pentaphosphate 40V, Negative-QTOFsplash10-0a70-0963000000-15a780b96422f01cdc9f2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adenosine 5'-pentaphosphate 10V, Positive-QTOFsplash10-014i-0000009000-7ec76545d19b5b6512f62021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adenosine 5'-pentaphosphate 20V, Positive-QTOFsplash10-014i-0200139000-6c4480c33d9fd80f08042021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adenosine 5'-pentaphosphate 40V, Positive-QTOFsplash10-0079-0951100000-6283b7af5a7dea30f2b62021-09-22Wishart 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 IDDB02738
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID167906
KEGG Compound IDC20198
BioCyc IDCPD-11561
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound193491
PDB ID5FA
ChEBI ID40096
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. Leslie NR, McLennan AG, Safrany ST: Cloning and characterisation of hAps1 and hAps2, human diadenosine polyphosphate-metabolising Nudix hydrolases. BMC Biochem. 2002 Jul 16;3:20. [PubMed:12121577 ]

Enzymes

Enzyme Details
1. Diphosphoinositol polyphosphate phosphohydrolase 3-alpha
General function:
Involved in hydrolase activity
Specific function:
Cleaves a beta-phosphate from the diphosphate groups in PP-InsP5 (diphosphoinositol pentakisphosphate), suggesting that it may play a role in signal transduction. Also able to catalyze the hydrolysis of dinucleoside oligophosphates, with Ap6A and Ap5A being the preferred substrates. The major reaction products are ADP and p4a from Ap6A and ADP and ATP from Ap5A. Also able to hydrolyze 5-phosphoribose 1-diphosphate.
Gene Name:
NUDT10
Uniprot ID:
Q8NFP7
Molecular weight:
18499.765
Reactions
Diadenosine hexaphosphate + Water → Adenosine 5'-pentaphosphate + Adenosine monophosphatedetails
Enzyme Details
2. Diphosphoinositol polyphosphate phosphohydrolase 3-beta
General function:
Involved in hydrolase activity
Specific function:
Cleaves a beta-phosphate from the diphosphate groups in PP-InsP5 (diphosphoinositol pentakisphosphate), suggesting that it may play a role in signal transduction. Also able to catalyze the hydrolysis of dinucleoside oligophosphates, with Ap6A and Ap5A being the preferred substrates. The major reaction products are ADP and p4a from Ap6A and ADP and ATP from Ap5A. Also able to hydrolyze 5-phosphoribose 1-diphosphate.
Gene Name:
NUDT11
Uniprot ID:
Q96G61
Molecular weight:
18558.835
Reactions
Diadenosine hexaphosphate + Water → Adenosine 5'-pentaphosphate + Adenosine monophosphatedetails