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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (3) Show 3 proteins XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2021-09-14 14:57:50 UTC

HMDB ID

HMDB0001364

Secondary Accession Numbers

HMDB01364

Metabolite Identification

Common Name

Adenosine tetraphosphate

Description

Adenosine 5' tetraphosphate, Ap4, is a natural nucleotide present in many biological systems. This nucleotide has been found as a constituent of the nucleotide pool present in the aqueous humor of a number of mammals and appears to act as a regulator of intraocular pressure (PMID: 14600249 ). AP4 may also play a significant role in the physiological regulation of vascular tone (PMID: 8599250 ). The plasma concentration of AP4 is in the nanomolar range. Technically adenosine tetraphosphate is condensation product of adenosine with tetraphosphoric acid at the 5' position. Acetyl coenzyme A (CoA) synthetase (EC 6.2.1.1) catalyzes the synthesis of adenosine 5'-tetraphosphate (P4A) and adenosine 5'-pentaphosphate (p5A) from ATP and tri- or tetrapolyphosphate (P3 or P4).

Structure

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


  Mrv0541 02231219052D          

 35 37  0  0  1  0            999 V2000
    3.7428    0.9802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9520    1.2148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2585   -0.2762    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2046    1.6576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9368    2.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2405    0.7834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5734    0.1855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0806   -1.1051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7127    2.3010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2102    2.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5101    1.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9301   -0.3255    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2102   -1.0899    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6407   -1.9491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4987    2.0134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1950    3.3720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1354   -0.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6954   -1.8506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5450   -0.6737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2801   -0.6737    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1014   -0.6737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2801    0.1476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2801   -1.4987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9264   -0.6737    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7476   -0.6737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9264    0.1476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9264   -1.4987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5726   -0.6737    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3938   -0.6737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5726    0.1476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5726   -1.4987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2189   -0.6737    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0402   -0.6737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2189    0.1476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2189   -1.4987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 12 17  1  1  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  2  0  0  0  0
 25 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
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  2  0  0  0  0
  5  9  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
M  END

HMDB0001364
     RDKit          3D
Adenosine tetraphosphate
 52 54  0  0  0  0  0  0  0  0999 V2000
   -8.4039   -0.5035   -1.7400 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3146   -0.9437   -0.9552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0443   -2.2601   -0.8505 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8950   -2.6353   -0.2806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0177   -1.7435    0.1872 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2187   -0.4046    0.1245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3995   -0.0201   -0.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4181    1.3542   -0.4426 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2488    1.7277    0.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5359    0.6723    0.4535 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1869    0.7597    0.8728 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5829   -0.5349    0.9524 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3261   -0.1501    1.1372 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2093   -1.1464    1.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7993   -0.1710    1.6230 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1189   -0.3498    0.6476 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.6735    0.1792   -0.7780 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7745   -1.8398    0.4756 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2282    0.8148    1.1503 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6632    0.6808    0.2414 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.6320    1.6129    0.9063 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2090   -0.8943    0.3622 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2823    1.1183   -1.3287 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5815    0.8408   -2.3855 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.2647    1.6856   -3.6223 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6519   -0.7642   -2.8853 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0298    1.4002   -1.7575 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0423    0.1815   -1.1959 P   0  0  0  0  0  5  0  0  0  0  0  0
    9.4504    0.4219   -1.7586 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4809   -1.3478   -1.5394 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2323    0.3625    0.4884 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2019    1.0502    2.0321 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5469    2.0922    1.3930 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7296    1.4345    2.0989 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7850    2.8359    2.0049 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3267   -0.7762   -2.7683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1772    0.0340   -1.4202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6984   -3.7313   -0.1663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0051    2.7940    0.2713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5792    1.3028    0.0034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0401    0.2740    0.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4450   -1.6843    2.3001 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1054   -1.7513    0.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2295   -2.4397   -0.1283 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9050   -1.4677   -0.4058 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2028   -0.8007   -3.7173 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4350   -1.9341   -0.7473 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3108    1.3422    0.6995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8031    0.8169    3.0125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3700    1.9494    0.4418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1145    1.0199    3.0202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6792    3.0493    2.4063 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
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 20 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 24 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 28 31  1  0
 13 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
  7  2  1  0
 34 11  1  0
 10  6  1  0
  1 36  1  0
  1 37  1  0
  4 38  1  0
  9 39  1  0
 11 40  1  6
 13 41  1  6
 14 42  1  0
 14 43  1  0
 18 44  1  0
 22 45  1  0
 26 46  1  0
 30 47  1  0
 31 48  1  0
 32 49  1  1
 33 50  1  0
 34 51  1  1
 35 52  1  0
M  END


  Mrv0541 02231219052D          

 35 37  0  0  1  0            999 V2000
    3.7428    0.9802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9520    1.2148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2585   -0.2762    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2046    1.6576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9368    2.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2405    0.7834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5734    0.1855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0806   -1.1051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7127    2.3010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2102    2.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5101    1.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9301   -0.3255    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2102   -1.0899    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6407   -1.9491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4987    2.0134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1950    3.3720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1354   -0.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6954   -1.8506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5450   -0.6737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2801   -0.6737    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1014   -0.6737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2801    0.1476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2801   -1.4987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9264   -0.6737    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7476   -0.6737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9264    0.1476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9264   -1.4987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5726   -0.6737    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3938   -0.6737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5726    0.1476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5726   -1.4987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2189   -0.6737    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0402   -0.6737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2189    0.1476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2189   -1.4987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 12 17  1  1  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  2  0  0  0  0
 25 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
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  2  0  0  0  0
  5  9  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0001364

> <DATABASE_NAME>
hmdb

> <SMILES>
NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C10H17N5O16P4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(28-10)1-27-33(21,22)30-35(25,26)31-34(23,24)29-32(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H,25,26)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

> <INCHI_KEY>
WWMWAMFHUSTZTA-KQYNXXCUSA-N

> <FORMULA>
C10H17N5O16P4

> <MOLECULAR_WEIGHT>
587.1609

> <EXACT_MASS>
586.962075569

> <JCHEM_ACCEPTOR_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
42.12276945721869

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <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}phosphonic acid

> <ALOGPS_LOGP>
-0.16

> <JCHEM_LOGP>
-7.170684213539284

> <ALOGPS_LOGS>
-2.09

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-4

> <JCHEM_PKA>
1.642557176214848

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.5940258109428269

> <JCHEM_PKA_STRONGEST_BASIC>
4.996477528553174

> <JCHEM_POLAR_SURFACE_AREA>
325.65999999999997

> <JCHEM_REFRACTIVITY>
106.68719999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.76e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
adenosine tetraphosphic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001364
     RDKit          3D
Adenosine tetraphosphate
 52 54  0  0  0  0  0  0  0  0999 V2000
   -8.4039   -0.5035   -1.7400 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3146   -0.9437   -0.9552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0443   -2.2601   -0.8505 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8950   -2.6353   -0.2806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0177   -1.7435    0.1872 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2187   -0.4046    0.1245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3995   -0.0201   -0.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4181    1.3542   -0.4426 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2488    1.7277    0.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5359    0.6723    0.4535 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1869    0.7597    0.8728 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5829   -0.5349    0.9524 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3261   -0.1501    1.1372 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2093   -1.1464    1.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7993   -0.1710    1.6230 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1189   -0.3498    0.6476 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.6735    0.1792   -0.7780 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7745   -1.8398    0.4756 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2282    0.8148    1.1503 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6632    0.6808    0.2414 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.6320    1.6129    0.9063 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2090   -0.8943    0.3622 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2823    1.1183   -1.3287 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5815    0.8408   -2.3855 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.2647    1.6856   -3.6223 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6519   -0.7642   -2.8853 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0298    1.4002   -1.7575 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0423    0.1815   -1.1959 P   0  0  0  0  0  5  0  0  0  0  0  0
    9.4504    0.4219   -1.7586 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4809   -1.3478   -1.5394 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2323    0.3625    0.4884 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2019    1.0502    2.0321 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5469    2.0922    1.3930 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7296    1.4345    2.0989 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7850    2.8359    2.0049 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3267   -0.7762   -2.7683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1772    0.0340   -1.4202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6984   -3.7313   -0.1663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0051    2.7940    0.2713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5792    1.3028    0.0034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0401    0.2740    0.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4450   -1.6843    2.3001 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1054   -1.7513    0.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2295   -2.4397   -0.1283 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9050   -1.4677   -0.4058 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2028   -0.8007   -3.7173 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4350   -1.9341   -0.7473 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3108    1.3422    0.6995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8031    0.8169    3.0125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3700    1.9494    0.4418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1145    1.0199    3.0202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6792    3.0493    2.4063 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
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 20 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 24 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 28 31  1  0
 13 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
  7  2  1  0
 34 11  1  0
 10  6  1  0
  1 36  1  0
  1 37  1  0
  4 38  1  0
  9 39  1  0
 11 40  1  6
 13 41  1  6
 14 42  1  0
 14 43  1  0
 18 44  1  0
 22 45  1  0
 26 46  1  0
 30 47  1  0
 31 48  1  0
 32 49  1  1
 33 50  1  0
 34 51  1  1
 35 52  1  0
M  END

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       6.987   1.830   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       5.510   2.268   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.083  -0.516   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.849   3.094   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.482   3.801   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0       4.182   1.462   0.000  0.00  0.00           N+0
HETATM    7  O   UNK     0       4.804   0.346   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       5.750  -2.063   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0       6.930   4.295   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0       4.126   4.564   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.819   2.197   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.603  -0.608   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.126  -2.034   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       6.796  -3.638   0.000  0.00  0.00           O+0
HETATM   15  N   UNK     0       2.798   3.758   0.000  0.00  0.00           N+0
HETATM   16  N   UNK     0       4.097   6.294   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0       2.119  -0.191   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       3.165  -3.454   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       1.017  -1.258   0.000  0.00  0.00           O+0
HETATM   20  P   UNK     0      -0.523  -1.258   0.000  0.00  0.00           P+0
HETATM   21  O   UNK     0      -2.056  -1.258   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -0.523   0.276   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -0.523  -2.798   0.000  0.00  0.00           O+0
HETATM   24  P   UNK     0      -3.596  -1.258   0.000  0.00  0.00           P+0
HETATM   25  O   UNK     0      -5.129  -1.258   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -3.596   0.276   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -3.596  -2.798   0.000  0.00  0.00           O+0
HETATM   28  P   UNK     0      -6.669  -1.258   0.000  0.00  0.00           P+0
HETATM   29  O   UNK     0      -8.202  -1.258   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -6.669   0.276   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -6.669  -2.798   0.000  0.00  0.00           O+0
HETATM   32  P   UNK     0      -9.742  -1.258   0.000  0.00  0.00           P+0
HETATM   33  O   UNK     0     -11.275  -1.258   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -9.742   0.276   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -9.742  -2.798   0.000  0.00  0.00           O+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5    6                                                  
CONECT    3    1    7    8                                                  
CONECT    4    1    9                                                       
CONECT    5    2   10    9                                                  
CONECT    6    2   11                                                       
CONECT    7    3   12                                                       
CONECT    8    3   13   14                                                  
CONECT    9    4    5                                                       
CONECT   10    5   15   16                                                  
CONECT   11    6   15                                                       
CONECT   12    7   17   13                                                  
CONECT   13    8   18   12                                                  
CONECT   14    8                                                            
CONECT   15   10   11                                                       
CONECT   16   10                                                            
CONECT   17   12   19                                                       
CONECT   18   13                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21   22   23                                             
CONECT   21   20   24                                                       
CONECT   22   20                                                            
CONECT   23   20                                                            
CONECT   24   21   25   26   27                                             
CONECT   25   24   28                                                       
CONECT   26   24                                                            
CONECT   27   24                                                            
CONECT   28   25   29   30   31                                             
CONECT   29   28   32                                                       
CONECT   30   28                                                            
CONECT   31   28                                                            
CONECT   32   29   33   34   35                                             
CONECT   33   32                                                            
CONECT   34   32                                                            
CONECT   35   32                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   74    0
END

COMPND    HMDB0001364
HETATM    1  N1  UNL     1      -8.404  -0.503  -1.740  1.00  0.00           N  
HETATM    2  C1  UNL     1      -7.315  -0.944  -0.955  1.00  0.00           C  
HETATM    3  N2  UNL     1      -7.044  -2.260  -0.850  1.00  0.00           N  
HETATM    4  C2  UNL     1      -5.895  -2.635  -0.281  1.00  0.00           C  
HETATM    5  N3  UNL     1      -5.018  -1.744   0.187  1.00  0.00           N  
HETATM    6  C3  UNL     1      -5.219  -0.405   0.124  1.00  0.00           C  
HETATM    7  C4  UNL     1      -6.399  -0.020  -0.458  1.00  0.00           C  
HETATM    8  N4  UNL     1      -6.418   1.354  -0.443  1.00  0.00           N  
HETATM    9  C5  UNL     1      -5.249   1.728   0.133  1.00  0.00           C  
HETATM   10  N5  UNL     1      -4.536   0.672   0.454  1.00  0.00           N  
HETATM   11  C6  UNL     1      -3.187   0.760   0.873  1.00  0.00           C  
HETATM   12  O1  UNL     1      -2.583  -0.535   0.952  1.00  0.00           O  
HETATM   13  C7  UNL     1      -1.326  -0.150   1.137  1.00  0.00           C  
HETATM   14  C8  UNL     1      -0.209  -1.146   1.330  1.00  0.00           C  
HETATM   15  O2  UNL     1       0.799  -0.171   1.623  1.00  0.00           O  
HETATM   16  P1  UNL     1       2.119  -0.350   0.648  1.00  0.00           P  
HETATM   17  O3  UNL     1       1.674   0.179  -0.778  1.00  0.00           O  
HETATM   18  O4  UNL     1       2.775  -1.840   0.476  1.00  0.00           O  
HETATM   19  O5  UNL     1       3.228   0.815   1.150  1.00  0.00           O  
HETATM   20  P2  UNL     1       4.663   0.681   0.241  1.00  0.00           P  
HETATM   21  O6  UNL     1       5.632   1.613   0.906  1.00  0.00           O  
HETATM   22  O7  UNL     1       5.209  -0.894   0.362  1.00  0.00           O  
HETATM   23  O8  UNL     1       4.282   1.118  -1.329  1.00  0.00           O  
HETATM   24  P3  UNL     1       5.582   0.841  -2.385  1.00  0.00           P  
HETATM   25  O9  UNL     1       5.265   1.686  -3.622  1.00  0.00           O  
HETATM   26  O10 UNL     1       5.652  -0.764  -2.885  1.00  0.00           O  
HETATM   27  O11 UNL     1       7.030   1.400  -1.757  1.00  0.00           O  
HETATM   28  P4  UNL     1       8.042   0.182  -1.196  1.00  0.00           P  
HETATM   29  O12 UNL     1       9.450   0.422  -1.759  1.00  0.00           O  
HETATM   30  O13 UNL     1       7.481  -1.348  -1.539  1.00  0.00           O  
HETATM   31  O14 UNL     1       8.232   0.363   0.488  1.00  0.00           O  
HETATM   32  C9  UNL     1      -1.202   1.050   2.032  1.00  0.00           C  
HETATM   33  O15 UNL     1      -0.547   2.092   1.393  1.00  0.00           O  
HETATM   34  C10 UNL     1      -2.730   1.435   2.099  1.00  0.00           C  
HETATM   35  O16 UNL     1      -2.785   2.836   2.005  1.00  0.00           O  
HETATM   36  H1  UNL     1      -8.327  -0.776  -2.768  1.00  0.00           H  
HETATM   37  H2  UNL     1      -9.177   0.034  -1.420  1.00  0.00           H  
HETATM   38  H3  UNL     1      -5.698  -3.731  -0.166  1.00  0.00           H  
HETATM   39  H4  UNL     1      -5.005   2.794   0.271  1.00  0.00           H  
HETATM   40  H5  UNL     1      -2.579   1.303   0.003  1.00  0.00           H  
HETATM   41  H6  UNL     1      -1.040   0.274   0.027  1.00  0.00           H  
HETATM   42  H7  UNL     1      -0.445  -1.684   2.300  1.00  0.00           H  
HETATM   43  H8  UNL     1       0.105  -1.751   0.536  1.00  0.00           H  
HETATM   44  H9  UNL     1       2.229  -2.440  -0.128  1.00  0.00           H  
HETATM   45  H10 UNL     1       4.905  -1.468  -0.406  1.00  0.00           H  
HETATM   46  H11 UNL     1       6.203  -0.801  -3.717  1.00  0.00           H  
HETATM   47  H12 UNL     1       7.435  -1.934  -0.747  1.00  0.00           H  
HETATM   48  H13 UNL     1       8.311   1.342   0.699  1.00  0.00           H  
HETATM   49  H14 UNL     1      -0.803   0.817   3.013  1.00  0.00           H  
HETATM   50  H15 UNL     1      -0.370   1.949   0.442  1.00  0.00           H  
HETATM   51  H16 UNL     1      -3.114   1.020   3.020  1.00  0.00           H  
HETATM   52  H17 UNL     1      -3.679   3.049   2.406  1.00  0.00           H  
CONECT    1    2   36   37
CONECT    2    3    3    7
CONECT    3    4
CONECT    4    5    5   38
CONECT    5    6
CONECT    6    7    7   10
CONECT    7    8
CONECT    8    9    9
CONECT    9   10   39
CONECT   10   11
CONECT   11   12   34   40
CONECT   12   13
CONECT   13   14   32   41
CONECT   14   15   42   43
CONECT   15   16
CONECT   16   17   17   18   19
CONECT   18   44
CONECT   19   20
CONECT   20   21   21   22   23
CONECT   22   45
CONECT   23   24
CONECT   24   25   25   26   27
CONECT   26   46
CONECT   27   28
CONECT   28   29   29   30   31
CONECT   30   47
CONECT   31   48
CONECT   32   33   34   49
CONECT   33   50
CONECT   34   35   51
CONECT   35   52
END

HMDB0001364
     RDKit          3D
Adenosine tetraphosphate
 52 54  0  0  0  0  0  0  0  0999 V2000
   -8.4039   -0.5035   -1.7400 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3146   -0.9437   -0.9552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0443   -2.2601   -0.8505 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8950   -2.6353   -0.2806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0177   -1.7435    0.1872 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2187   -0.4046    0.1245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3995   -0.0201   -0.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4181    1.3542   -0.4426 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2488    1.7277    0.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5359    0.6723    0.4535 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1869    0.7597    0.8728 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5829   -0.5349    0.9524 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3261   -0.1501    1.1372 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2093   -1.1464    1.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7993   -0.1710    1.6230 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1189   -0.3498    0.6476 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.6735    0.1792   -0.7780 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7745   -1.8398    0.4756 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2282    0.8148    1.1503 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6632    0.6808    0.2414 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.6320    1.6129    0.9063 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2090   -0.8943    0.3622 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2823    1.1183   -1.3287 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5815    0.8408   -2.3855 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.2647    1.6856   -3.6223 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6519   -0.7642   -2.8853 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0298    1.4002   -1.7575 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0423    0.1815   -1.1959 P   0  0  0  0  0  5  0  0  0  0  0  0
    9.4504    0.4219   -1.7586 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4809   -1.3478   -1.5394 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2323    0.3625    0.4884 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2019    1.0502    2.0321 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5469    2.0922    1.3930 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7296    1.4345    2.0989 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7850    2.8359    2.0049 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3267   -0.7762   -2.7683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1772    0.0340   -1.4202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6984   -3.7313   -0.1663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0051    2.7940    0.2713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5792    1.3028    0.0034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0401    0.2740    0.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4450   -1.6843    2.3001 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1054   -1.7513    0.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2295   -2.4397   -0.1283 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9050   -1.4677   -0.4058 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2028   -0.8007   -3.7173 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4350   -1.9341   -0.7473 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3108    1.3422    0.6995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8031    0.8169    3.0125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3700    1.9494    0.4418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1145    1.0199    3.0202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6792    3.0493    2.4063 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
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 20 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 24 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 28 31  1  0
 13 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
  7  2  1  0
 34 11  1  0
 10  6  1  0
  1 36  1  0
  1 37  1  0
  4 38  1  0
  9 39  1  0
 11 40  1  6
 13 41  1  6
 14 42  1  0
 14 43  1  0
 18 44  1  0
 22 45  1  0
 26 46  1  0
 30 47  1  0
 31 48  1  0
 32 49  1  1
 33 50  1  0
 34 51  1  1
 35 52  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Adenosine 5'-tetraphosphate	ChEBI
Adenosine 5'-tetraphosphoric acid	Generator
Adenosine tetraphosphoric acid	Generator
Ap4	HMDB
ATPP	HMDB
P4A	HMDB

Chemical Formula

C₁₀H₁₇N₅O₁₆P₄

Average Molecular Weight

587.1609

Monoisotopic Molecular Weight

586.962075569

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}phosphonic acid

Traditional Name

adenosine tetraphosphic acid

CAS Registry Number

58337-43-2

SMILES

NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O

InChI Identifier

InChI=1S/C10H17N5O16P4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(28-10)1-27-33(21,22)30-35(25,26)31-34(23,24)29-32(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H,25,26)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

InChI Key

WWMWAMFHUSTZTA-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.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Purine nucleotides

Sub Class

Purine ribonucleotides

Direct Parent

Purine 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 Framework

Aromatic heteropolycyclic compounds

External Descriptors

adenosine 5'-phosphate (CHEBI:18334 )
purine ribonucleoside 5'-tetraphosphate (CHEBI:18334 )

Ontology

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	4.76 g/L	ALOGPS
logP	-0.16	ALOGPS
logP	-7.2	ChemAxon
logS	-2.1	ALOGPS
pKa (Strongest Acidic)	0.59	ChemAxon
pKa (Strongest Basic)	5	ChemAxon
Physiological Charge	-4	ChemAxon
Hydrogen Acceptor Count	16	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	325.66 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	106.69 m³·mol⁻¹	ChemAxon
Polarizability	42.12 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	223.332	31661259
DarkChem	[M-H]-	208.96	31661259
AllCCS	[M+H]+	209.238	32859911
AllCCS	[M-H]-	200.42	32859911
DeepCCS	[M+H]+	139.97	30932474
DeepCCS	[M-H]-	136.889	30932474
DeepCCS	[M-2H]-	171.925	30932474
DeepCCS	[M+Na]+	147.383	30932474
AllCCS	[M+H]+	209.2	32859911
AllCCS	[M+H-H2O]+	207.9	32859911
AllCCS	[M+NH4]+	210.4	32859911
AllCCS	[M+Na]+	210.7	32859911
AllCCS	[M-H]-	200.4	32859911
AllCCS	[M+Na-2H]-	201.2	32859911
AllCCS	[M+HCOO]-	202.1	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Adenosine tetraphosphate	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O	5373.4	Standard polar	33892256
Adenosine tetraphosphate	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O	2960.4	Standard non polar	33892256
Adenosine tetraphosphate	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O	4727.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Adenosine tetraphosphate,1TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	4547.1	Semi standard non polar	33892256
Adenosine tetraphosphate,1TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C21	4551.4	Semi standard non polar	33892256
Adenosine tetraphosphate,1TMS,isomer #3	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O	4584.5	Semi standard non polar	33892256
Adenosine tetraphosphate,1TMS,isomer #4	C[Si](C)(C)OP(=O)(OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O)OP(=O)(O)O	4593.0	Semi standard non polar	33892256
Adenosine tetraphosphate,1TMS,isomer #5	C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	4595.5	Semi standard non polar	33892256
Adenosine tetraphosphate,1TMS,isomer #6	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	4590.6	Semi standard non polar	33892256
Adenosine tetraphosphate,1TMS,isomer #7	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	4564.6	Semi standard non polar	33892256
Adenosine tetraphosphate,2TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	4392.8	Semi standard non polar	33892256
Adenosine tetraphosphate,2TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	4444.8	Semi standard non polar	33892256
Adenosine tetraphosphate,2TMS,isomer #11	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	4450.7	Semi standard non polar	33892256
Adenosine tetraphosphate,2TMS,isomer #12	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O	4517.8	Semi standard non polar	33892256
Adenosine tetraphosphate,2TMS,isomer #13	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	4521.4	Semi standard non polar	33892256
Adenosine tetraphosphate,2TMS,isomer #14	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=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	4505.5	Semi standard non polar	33892256
Adenosine tetraphosphate,2TMS,isomer #15	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	4518.4	Semi standard non polar	33892256
Adenosine tetraphosphate,2TMS,isomer #16	C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	4529.0	Semi standard non polar	33892256
Adenosine tetraphosphate,2TMS,isomer #17	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	4513.7	Semi standard non polar	33892256
Adenosine tetraphosphate,2TMS,isomer #18	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	4529.6	Semi standard non polar	33892256
Adenosine tetraphosphate,2TMS,isomer #19	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	4513.9	Semi standard non polar	33892256
Adenosine tetraphosphate,2TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	4453.0	Semi standard non polar	33892256
Adenosine tetraphosphate,2TMS,isomer #20	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O	4528.9	Semi standard non polar	33892256
Adenosine tetraphosphate,2TMS,isomer #21	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	4499.8	Semi standard non polar	33892256
Adenosine tetraphosphate,2TMS,isomer #22	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	4510.5	Semi standard non polar	33892256
Adenosine tetraphosphate,2TMS,isomer #23	C[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O)[Si](C)(C)C	4505.9	Semi standard non polar	33892256
Adenosine tetraphosphate,2TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	4459.6	Semi standard non polar	33892256
Adenosine tetraphosphate,2TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	4460.3	Semi standard non polar	33892256
Adenosine tetraphosphate,2TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	4441.1	Semi standard non polar	33892256
Adenosine tetraphosphate,2TMS,isomer #6	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	4447.1	Semi standard non polar	33892256
Adenosine tetraphosphate,2TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C21	4457.2	Semi standard non polar	33892256
Adenosine tetraphosphate,2TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C21	4466.9	Semi standard non polar	33892256
Adenosine tetraphosphate,2TMS,isomer #9	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C21	4468.8	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	4284.4	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	3964.5	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	7429.9	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	4341.6	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	4058.2	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	7265.6	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	4320.4	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	4045.0	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	7265.3	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #12	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	4342.4	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #12	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	4132.7	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #12	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	7178.1	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=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]1O	4320.9	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=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]1O	4044.4	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=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]1O	7255.2	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #14	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	4340.7	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #14	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	4130.6	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #14	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	7185.3	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #15	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=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]1O	4321.0	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #15	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=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]1O	4009.5	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #15	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=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]1O	7256.8	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #16	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	4323.6	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #16	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	4116.6	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #16	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	7209.6	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #17	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=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]1O	4329.9	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #17	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=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]1O	4150.2	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #17	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=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]1O	7311.0	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #18	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C21	4339.2	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #18	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C21	4063.1	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #18	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C21	7224.6	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #19	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C21	4343.0	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #19	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C21	4057.6	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #19	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C21	7262.2	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	4291.8	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	3971.7	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	7459.0	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #20	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	4316.8	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #20	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	4043.1	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #20	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	7248.5	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #21	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	4349.5	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #21	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	4132.3	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #21	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	7174.5	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #22	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C21	4342.3	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #22	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C21	4064.4	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #22	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C21	7279.2	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #23	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	4321.4	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #23	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	4051.3	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #23	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	7278.8	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #24	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	4347.8	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #24	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	4139.7	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #24	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	7189.9	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #25	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	4323.5	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #25	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	4050.1	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #25	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	7268.7	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #26	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	4346.5	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #26	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	4137.9	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #26	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	7197.2	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #27	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	4322.4	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #27	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	4016.2	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #27	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	7270.3	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #28	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	4327.6	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #28	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	4124.1	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #28	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	7221.3	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #29	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	4330.8	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #29	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	4156.7	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #29	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	7322.6	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=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)C	4291.6	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=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)C	3967.9	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=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)C	7464.1	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #30	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	4397.7	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #30	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	4176.2	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #30	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	7094.0	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #31	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=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	4374.5	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #31	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=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	4157.5	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #31	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=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	7093.1	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #32	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	4413.8	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #32	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	4241.9	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #32	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	6950.4	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #33	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=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	4379.0	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #33	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=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	4157.2	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #33	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=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	7113.8	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #34	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O	4411.7	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #34	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O	4238.3	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #34	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O	6974.7	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #35	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4376.5	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #35	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4124.9	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #35	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	7109.5	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #36	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	4398.8	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #36	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	4221.5	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #36	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	7011.9	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #37	C[Si](C)(C)OP(=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)OP(=O)(O)OP(=O)(O)OP(=O)(O)O	4392.9	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #37	C[Si](C)(C)OP(=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)OP(=O)(O)OP(=O)(O)OP(=O)(O)O	4246.5	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #37	C[Si](C)(C)OP(=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)OP(=O)(O)OP(=O)(O)OP(=O)(O)O	7087.9	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #38	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	4379.9	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #38	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	4166.7	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #38	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	7128.1	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #39	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O	4408.2	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #39	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O	4247.4	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #39	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O	6979.8	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=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)C	4263.8	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=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)C	3956.8	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=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)C	7452.1	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #40	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	4378.1	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #40	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	4136.9	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #40	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	7143.7	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #41	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	4398.6	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #41	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	4232.5	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #41	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	7018.1	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #42	C[Si](C)(C)OP(=O)(OP(=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)OP(=O)(O)OP(=O)(O)O	4404.7	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #42	C[Si](C)(C)OP(=O)(OP(=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)OP(=O)(O)OP(=O)(O)O	4263.3	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #42	C[Si](C)(C)OP(=O)(OP(=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)OP(=O)(O)OP(=O)(O)O	7099.5	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #43	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	4378.9	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #43	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	4129.5	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #43	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	7118.3	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #44	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	4399.8	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #44	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	4232.4	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #44	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	7015.7	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #45	C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OP(=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	4402.8	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #45	C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OP(=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	4258.4	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #45	C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OP(=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	7106.0	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #46	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	4401.6	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #46	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	4195.1	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #46	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	7031.6	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #47	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=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	4397.5	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #47	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=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	4238.3	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #47	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=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	7136.7	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #5	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4304.7	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #5	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4051.2	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #5	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	7427.4	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	4338.5	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	4055.5	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	7213.4	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	4342.1	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	4049.8	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	7250.8	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	4314.9	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	4034.9	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	7237.5	Standard polar	33892256
Adenosine tetraphosphate,3TMS,isomer #9	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	4344.1	Semi standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #9	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	4124.0	Standard non polar	33892256
Adenosine tetraphosphate,3TMS,isomer #9	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	7157.1	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	4211.0	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	3909.2	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	7061.7	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=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]1O[Si](C)(C)C	4198.9	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=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]1O[Si](C)(C)C	3872.3	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=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]1O[Si](C)(C)C	7107.5	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #11	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4229.2	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #11	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4025.2	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #11	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	6994.7	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=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]1O[Si](C)(C)C	4224.5	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=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]1O[Si](C)(C)C	4042.8	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=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]1O[Si](C)(C)C	7026.0	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	4252.4	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	3984.6	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	6885.0	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #14	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	4238.9	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #14	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	3971.3	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #14	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	6899.9	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #15	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	4282.6	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #15	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	4103.8	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #15	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	6700.1	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #16	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=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]1O	4241.4	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #16	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=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]1O	3969.5	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #16	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=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]1O	6918.8	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #17	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	4282.5	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #17	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	4097.0	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #17	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	6711.4	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #18	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=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]1O	4237.3	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #18	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=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]1O	3939.3	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #18	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=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]1O	6925.5	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #19	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	4269.9	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #19	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	4087.3	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #19	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	6766.5	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=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)C	4208.2	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=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)C	3899.9	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=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)C	7092.4	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #20	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=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]1O	4270.5	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #20	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=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]1O	4101.7	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #20	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=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]1O	6775.8	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #21	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=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]1O	4243.8	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #21	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=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]1O	3978.9	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #21	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=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]1O	6919.2	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #22	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	4281.7	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #22	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	4104.1	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #22	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	6716.8	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #23	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=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]1O	4243.0	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #23	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=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]1O	3945.5	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #23	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=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]1O	6942.2	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #24	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	4266.8	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #24	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	4094.2	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #24	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	6763.6	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #25	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=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]1O	4266.0	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #25	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=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]1O	4112.2	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #25	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=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]1O	6779.4	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #26	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	4242.8	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #26	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	3947.0	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #26	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	6922.4	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #27	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	4268.2	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #27	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	4098.4	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #27	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	6766.1	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #28	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O	4263.6	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #28	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O	4113.7	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #28	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O	6782.7	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #29	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	4274.4	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #29	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	4064.5	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #29	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	6788.7	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=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)C	4201.6	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=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)C	3890.9	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=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)C	7090.4	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #30	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O	4269.2	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #30	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O	4098.8	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #30	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O	6836.0	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #31	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C21	4253.0	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #31	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C21	3993.3	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #31	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C21	6897.8	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #32	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	4237.0	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #32	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	3980.7	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #32	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	6911.9	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #33	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	4282.6	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #33	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	4113.3	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #33	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	6718.9	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #34	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	4239.6	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #34	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	3978.9	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #34	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	6930.7	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #35	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	4283.6	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #35	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	4106.4	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #35	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	6730.5	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #36	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	4234.2	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #36	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	3948.6	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #36	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	6937.1	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #37	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	4271.3	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #37	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	4097.3	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #37	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	6784.7	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #38	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	4265.6	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #38	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	4111.8	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #38	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	6796.2	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #39	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	4242.7	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #39	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	3988.1	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #39	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	6932.0	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #4	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4247.8	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #4	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4028.3	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #4	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	6938.9	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #40	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	4281.2	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #40	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	4113.0	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #40	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	6728.7	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #41	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	4241.8	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #41	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	3954.9	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #41	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	6955.1	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #42	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	4268.2	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #42	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	4104.0	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #42	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	6775.1	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #43	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	4263.2	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #43	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	4122.2	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #43	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	6791.7	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #44	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	4242.0	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #44	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	3955.6	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #44	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	6935.5	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #45	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	4271.3	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #45	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	4107.9	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #45	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	6777.6	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #46	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	4261.5	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #46	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	4123.4	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #46	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	6795.1	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #47	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	4274.9	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #47	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	4074.0	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #47	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	6800.1	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #48	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	4267.0	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #48	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	4108.7	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #48	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	6848.2	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #49	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=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	4285.2	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #49	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=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	4076.7	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #49	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=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	6770.7	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=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)C	4214.2	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=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)C	3908.3	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=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)C	7100.5	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #50	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O	4330.0	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #50	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O	4199.4	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #50	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O	6517.8	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #51	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=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	4283.1	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #51	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=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	4045.2	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #51	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=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	6797.8	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #52	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	4321.4	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #52	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	4185.8	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #52	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	6581.0	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #53	C[Si](C)(C)OP(=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)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O	4319.4	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #53	C[Si](C)(C)OP(=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)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O	4202.3	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #53	C[Si](C)(C)OP(=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)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O	6581.2	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #54	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4287.0	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #54	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4039.9	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #54	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	6805.5	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #55	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	4324.7	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #55	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	4185.3	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #55	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	6587.6	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #56	C[Si](C)(C)OP(=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)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	4320.9	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #56	C[Si](C)(C)OP(=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)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	4199.6	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #56	C[Si](C)(C)OP(=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)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	6589.8	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #57	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	4331.4	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #57	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	4152.3	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #57	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	6623.7	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #58	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=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[Si](C)(C)C	4319.1	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #58	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=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[Si](C)(C)C	4182.4	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #58	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=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[Si](C)(C)C	6657.3	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #59	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	4286.8	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #59	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	4049.0	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #59	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	6801.5	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=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)C	4203.4	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=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)C	3897.5	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=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)C	7107.8	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #60	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	4320.6	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #60	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	4193.0	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #60	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	6576.5	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #61	C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O[Si](C)(C)C)OP(=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	4319.2	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #61	C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O[Si](C)(C)C)OP(=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	4211.8	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #61	C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O[Si](C)(C)C)OP(=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	6584.6	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #62	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	4326.8	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #62	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	4159.7	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #62	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	6598.0	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #63	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=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	4318.7	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #63	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=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	4197.5	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #63	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=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	6640.5	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #64	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	4328.5	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #64	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	4158.0	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #64	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	6609.2	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #65	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=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	4318.4	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #65	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=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	4198.6	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #65	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=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	6644.5	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #66	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=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	4319.3	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #66	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=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	4162.5	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #66	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OP(=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	6671.9	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #7	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4246.3	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #7	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4033.6	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #7	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	6948.2	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=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]1O[Si](C)(C)C	4204.1	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=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]1O[Si](C)(C)C	3903.4	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=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]1O[Si](C)(C)C	7099.3	Standard polar	33892256
Adenosine tetraphosphate,4TMS,isomer #9	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4245.1	Semi standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #9	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4031.8	Standard non polar	33892256
Adenosine tetraphosphate,4TMS,isomer #9	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	6953.7	Standard polar	33892256
Adenosine tetraphosphate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	4764.1	Semi standard non polar	33892256
Adenosine tetraphosphate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C21	4772.3	Semi standard non polar	33892256
Adenosine tetraphosphate,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O	4809.4	Semi standard non polar	33892256
Adenosine tetraphosphate,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O)OP(=O)(O)O	4819.4	Semi standard non polar	33892256
Adenosine tetraphosphate,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	4819.9	Semi standard non polar	33892256
Adenosine tetraphosphate,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	4810.0	Semi standard non polar	33892256
Adenosine tetraphosphate,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	4795.9	Semi standard non polar	33892256
Adenosine tetraphosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C	4752.8	Semi standard non polar	33892256
Adenosine tetraphosphate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	4819.3	Semi standard non polar	33892256
Adenosine tetraphosphate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4796.5	Semi standard non polar	33892256
Adenosine tetraphosphate,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O	4870.4	Semi standard non polar	33892256
Adenosine tetraphosphate,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	4878.0	Semi standard non polar	33892256
Adenosine tetraphosphate,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=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(C)(C)C	4865.2	Semi standard non polar	33892256
Adenosine tetraphosphate,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	4856.0	Semi standard non polar	33892256
Adenosine tetraphosphate,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	4881.7	Semi standard non polar	33892256
Adenosine tetraphosphate,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	4868.0	Semi standard non polar	33892256
Adenosine tetraphosphate,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	4863.2	Semi standard non polar	33892256
Adenosine tetraphosphate,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	4866.1	Semi standard non polar	33892256
Adenosine tetraphosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	4816.4	Semi standard non polar	33892256
Adenosine tetraphosphate,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O	4864.0	Semi standard non polar	33892256
Adenosine tetraphosphate,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	4869.0	Semi standard non polar	33892256
Adenosine tetraphosphate,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	4855.7	Semi standard non polar	33892256
Adenosine tetraphosphate,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	4827.4	Semi standard non polar	33892256
Adenosine tetraphosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	4822.9	Semi standard non polar	33892256
Adenosine tetraphosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	4823.7	Semi standard non polar	33892256
Adenosine tetraphosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	4815.1	Semi standard non polar	33892256
Adenosine tetraphosphate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4791.7	Semi standard non polar	33892256
Adenosine tetraphosphate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C21	4824.0	Semi standard non polar	33892256
Adenosine tetraphosphate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C21	4828.6	Semi standard non polar	33892256
Adenosine tetraphosphate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C21	4829.2	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine tetraphosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-0a6s-4549340000-210817169cf3b8699238	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine tetraphosphate GC-MS (1 TMS) - 70eV, Positive	splash10-0095-5113911000-82bc4c92b9337df7306a	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine tetraphosphate GC-MS ("Adenosine tetraphosphate,1TMS,#1" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine tetraphosphate GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine tetraphosphate GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine tetraphosphate GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine tetraphosphate GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine tetraphosphate GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine tetraphosphate GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine tetraphosphate GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine tetraphosphate GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine tetraphosphate GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine tetraphosphate GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine tetraphosphate GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine tetraphosphate GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine tetraphosphate GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine tetraphosphate GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine tetraphosphate GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine tetraphosphate GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine tetraphosphate GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine tetraphosphate GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine tetraphosphate GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine tetraphosphate GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine tetraphosphate GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine tetraphosphate GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Adenosine tetraphosphate 10V, Positive-QTOF	splash10-000i-0911130000-19506c43ebd0f8ebe636	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Adenosine tetraphosphate 20V, Positive-QTOF	splash10-000i-0900000000-e1087671984c86d697c4	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Adenosine tetraphosphate 40V, Positive-QTOF	splash10-000i-1900000000-7e71a7b8bff220f033ff	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Adenosine tetraphosphate 10V, Negative-QTOF	splash10-0019-0602090000-68b493a20b226427e5a8	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Adenosine tetraphosphate 20V, Negative-QTOF	splash10-001i-4912000000-72b850c30b2812dec13b	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Adenosine tetraphosphate 40V, Negative-QTOF	splash10-056r-7941000000-5f2cee78204735692a65	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Adenosine tetraphosphate 10V, Negative-QTOF	splash10-000i-0000090000-c352b4d681fa7bb1982f	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Adenosine tetraphosphate 20V, Negative-QTOF	splash10-002r-3411290000-bfed3bb4e6dfc1ecbde2	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Adenosine tetraphosphate 40V, Negative-QTOF	splash10-004i-5910100000-73d004c59562854c89e1	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Adenosine tetraphosphate 10V, Positive-QTOF	splash10-000i-0000090000-5b5633f79635ce90cbbe	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Adenosine tetraphosphate 20V, Positive-QTOF	splash10-000i-0200390000-6a89d2861e9e0f051525	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Adenosine tetraphosphate 40V, Positive-QTOF	splash10-000i-0910000000-75ed4220cbd90e9b6d7c	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm (predicted from logP)

Biospecimen Locations

Not Available

Tissue Locations

Adrenal Medulla
Placenta
Spleen

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB022579

KNApSAcK ID

Not Available

Chemspider ID

13390

KEGG Compound ID

C03483

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Adenosine 5'-tetraphosphate

METLIN ID

6191

PubChem Compound

14003

PDB ID

Not Available

ChEBI ID

18334

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Luthje J, Baringer J, Ogilvie A: Effects of diadenosine triphosphate (Ap3A) and diadenosine tetraphosphate (Ap4A) on platelet aggregation in unfractionated human blood. Blut. 1985 Dec;51(6):405-13. [PubMed:3852686 ]
Sillero MA, Del Valle M, Zaera E, Michelena P, Garcia AG, Sillero A: Diadenosine 5',5"-P1,P4-tetraphosphate (Ap4A), ATP and catecholamine content in bovine adrenal medulla, chromaffin granules and chromaffin cells. Biochimie. 1994;76(5):404-9. [PubMed:7849106 ]
Liu Q, Dumont DJ: Molecular cloning and chromosomal localization in human and mouse of the SH2-containing inositol phosphatase, INPP5D (SHIP). Amgen EST Program. Genomics. 1997 Jan 1;39(1):109-12. [PubMed:9027494 ]
Pintor J, Peral A, Hoyle CH, Redick C, Douglass J, Sims I, Yerxa B: Effects of diadenosine polyphosphates on tear secretion in New Zealand white rabbits. J Pharmacol Exp Ther. 2002 Jan;300(1):291-7. [PubMed:11752128 ]
Pintor J, Carracedo G, Alonso MC, Bautista A, Peral A: Presence of diadenosine polyphosphates in human tears. Pflugers Arch. 2002 Jan;443(3):432-6. Epub 2001 Aug 23. [PubMed:11810214 ]
Lazewska D, Starzynska E, Guranowski A: Human placental (Asymmetrical) diadenosine 5',5'''-P1,P4-tetraphosphate hydrolase: purification to homogeneity and some properties. Protein Expr Purif. 1993 Feb;4(1):45-51. [PubMed:8381042 ]
Pintor J, Pelaez T, Peral A: Adenosine tetraphosphate, Ap4, a physiological regulator of intraocular pressure in normotensive rabbit eyes. J Pharmacol Exp Ther. 2004 Feb;308(2):468-73. Epub 2003 Nov 4. [PubMed:14600249 ]
Lee JW, Kong ID, Park KS, Jeong SW: Effects of adenosine tetraphosphate (ATPP) on vascular tone in the isolated rat aorta. Yonsei Med J. 1995 Dec;36(6):487-96. [PubMed:8599250 ]

Enzymes

Enzyme Details

1. Acetyl-coenzyme A synthetase 2-like, mitochondrial

General function:: Involved in acetate-CoA ligase activity
Specific function:: Important for maintaining normal body temperature during fasting and for energy homeostasis. Essential for energy expenditure under ketogenic conditions (By similarity). Converts acetate to acetyl-CoA so that it can be used for oxidation through the tricarboxylic cycle to produce ATP and CO(2).
Gene Name:: ACSS1
Uniprot ID:: Q9NUB1
Molecular weight:: 74625.88

Enzyme Details

2. 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

P(1),P(5)-bis(5'-adenosyl)pentaphosphate + Water → Adenosine tetraphosphate + Adenosine monophosphate	details

Enzyme Details

3. 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

P(1),P(5)-bis(5'-adenosyl)pentaphosphate + Water → Adenosine tetraphosphate + Adenosine monophosphate	details

Showing metabocard for Adenosine tetraphosphate (HMDB0001364)

MOL for HMDB0001364 (Adenosine tetraphosphate)

3D MOL for HMDB0001364 (Adenosine tetraphosphate)

3D SDF for HMDB0001364 (Adenosine tetraphosphate)

3D-SDF for HMDB0001364 (Adenosine tetraphosphate)

PDB for HMDB0001364 (Adenosine tetraphosphate)

3D PDB for HMDB0001364 (Adenosine tetraphosphate)

SMILES for HMDB0001364 (Adenosine tetraphosphate)

INCHI for HMDB0001364 (Adenosine tetraphosphate)

Structure for HMDB0001364 (Adenosine tetraphosphate)

3D Structure for HMDB0001364 (Adenosine tetraphosphate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions

Reactions