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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (1037)transporters (3) Show 1040 proteins XML

enzymes (1037)transporters (3) Show 1040 proteins

Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2022-01-20 23:33:48 UTC

HMDB ID

HMDB0000538

Secondary Accession Numbers

HMDB00538

Metabolite Identification

Common Name

Adenosine triphosphate

Description

Adenosine triphosphate (ATP) is a nucleotide consisting of a purine base (adenine) attached to the first carbon atom of ribose (a pentose sugar). Three phosphate groups are esterified at the fifth carbon atom of the ribose. ATP is incorporated into nucleic acids by polymerases in the processes of DNA replication and transcription. ATP contributes to cellular energy charge and participates in overall energy balance, maintaining cellular homeostasis. ATP can act as an extracellular signaling molecule via interactions with specific purinergic receptors to mediate a wide variety of processes as diverse as neurotransmission, inflammation, apoptosis, and bone remodelling. Extracellular ATP and its metabolite adenosine have also been shown to exert a variety of effects on nearly every cell type in human skin, and ATP seems to play a direct role in triggering skin inflammatory, regenerative, and fibrotic responses to mechanical injury, an indirect role in melanocyte proliferation and apoptosis, and a complex role in Langerhans cell-directed adaptive immunity. During exercise, intracellular homeostasis depends on the matching of adenosine triphosphate (ATP) supply and ATP demand. Metabolites play a useful role in communicating the extent of ATP demand to the metabolic supply pathways. Effects as different as proliferation or differentiation, chemotaxis, release of cytokines or lysosomal constituents, and generation of reactive oxygen or nitrogen species are elicited upon stimulation of blood cells with extracellular ATP. The increased concentration of adenosine triphosphate (ATP) in erythrocytes from patients with chronic renal failure (CRF) has been observed in many studies but the mechanism leading to these abnormalities still is controversial. (PMID: 15490415 , 15129319 , 14707763 , 14696970 , 11157473 ).

Structure

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


  Mrv1652309182018362D          

 31 33  0  0  0  0            999 V2000
10001.0181 9999.9193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.5107 9998.0589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.7317 9999.5058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.4453 9999.9193    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10003.1672 9999.5202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.034910000.6342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.859910000.6342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.8829 9999.9315    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10003.468310000.6465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.293310000.6465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.632310000.0002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.2198 9998.7306    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.0448 9998.7306    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10000.2997 9999.5152    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9996.138710000.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.8838 9999.2451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9996.4359 9998.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.2429 9998.8034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9997.4978 9999.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.945710000.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2515 9999.9235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9998.165310000.7440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.358410000.9156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9995.586710000.6427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9659 9999.5109    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.7351 9998.0630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.5944 9999.5202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10005.3101 9999.9315    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10004.895610000.6465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10006.0217 9999.5202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10005.720610000.6465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 11 14  1  0  0  0  0
 14  1  1  6  0  0  0
 13  2  1  1  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 22 23  2  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 19 21  1  0  0  0  0
 15 24  1  0  0  0  0
 25 21  1  6  0  0  0
 25 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  1  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
  8 27  1  0  0  0  0
M  END

HMDB0000538
     RDKit          3D
Adenosine triphosphate
 47 49  0  0  0  0  0  0  0  0999 V2000
   -7.9960    0.3681   -0.2310 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6948    0.8914   -0.4575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4635    2.2097   -0.4343 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3035    2.8039   -0.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2155    2.0164   -0.6702 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3098    0.6795   -0.6974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5831    0.0815   -0.5934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3666   -1.2285   -0.6349 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0619   -1.4734   -0.7434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4355   -0.3222   -0.7658 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9919   -0.0700   -0.6983 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3076   -1.2994   -0.8365 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1692   -0.9434   -0.1022 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0606   -1.7218   -0.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0139    0.5869 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1351   -0.3529   -0.5093 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.3715   -0.0067   -1.7985 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6672    1.0750    0.2298 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -1.3703   -0.8656 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3793   -1.5674    0.4480 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.3752   -3.0526    0.7733 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8011   -0.6842    1.7623 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8949   -1.0099    0.0126 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8452    0.4434   -0.8224 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.6843    0.5523   -1.7817 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2344    0.6531   -1.7958 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8073    1.7223    0.2865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7730   -0.7353    1.2452 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0644   -0.2140    2.2098 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8149    0.3159    0.8011 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3196    1.5974    0.8409 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7728    0.6431   -0.8416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1245   -0.3231    0.5390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2260    3.8712   -0.5129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6556   -2.4814   -0.8210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6900    0.6370   -1.4055 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0688    0.1647   -0.4257 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9381   -2.7275    0.2320 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4849   -1.8469   -1.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4745    1.8818   -0.3695 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9169   -1.1557    2.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0390    0.3671   -1.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2579    2.5294   -0.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3414   -1.6085    1.6116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3391   -0.4663    3.1069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7260    0.2086    1.3803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    1.9626    1.7216 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
 13 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
  7  2  1  0
 30 11  1  0
 10  6  1  0
  1 32  1  0
  1 33  1  0
  4 34  1  0
  9 35  1  0
 11 36  1  6
 13 37  1  6
 14 38  1  0
 14 39  1  0
 18 40  1  0
 22 41  1  0
 26 42  1  0
 27 43  1  0
 28 44  1  1
 29 45  1  0
 30 46  1  1
 31 47  1  0
M  END


  Mrv1652309182018362D          

 31 33  0  0  0  0            999 V2000
10001.0181 9999.9193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.5107 9998.0589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.7317 9999.5058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.4453 9999.9193    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10003.1672 9999.5202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.034910000.6342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.859910000.6342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.8829 9999.9315    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10003.468310000.6465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.293310000.6465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.632310000.0002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.2198 9998.7306    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.0448 9998.7306    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10000.2997 9999.5152    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9996.138710000.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.8838 9999.2451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9996.4359 9998.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.2429 9998.8034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9997.4978 9999.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.945710000.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2515 9999.9235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9998.165310000.7440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.358410000.9156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9995.586710000.6427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9659 9999.5109    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.7351 9998.0630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.5944 9999.5202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10005.3101 9999.9315    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10004.895610000.6465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10006.0217 9999.5202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10005.720610000.6465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 11 14  1  0  0  0  0
 14  1  1  6  0  0  0
 13  2  1  1  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 22 23  2  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 19 21  1  0  0  0  0
 15 24  1  0  0  0  0
 25 21  1  6  0  0  0
 25 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  1  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
  8 27  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0000538

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

> <INCHI_KEY>
ZKHQWZAMYRWXGA-KQYNXXCUSA-N

> <FORMULA>
C10H16N5O13P3

> <MOLECULAR_WEIGHT>
507.181

> <EXACT_MASS>
506.995745159

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
47

> <JCHEM_AVERAGE_POLARIZABILITY>
38.917323034745216

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <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)phosphonic acid

> <ALOGPS_LOGP>
-0.84

> <JCHEM_LOGP>
-5.8040500921722185

> <ALOGPS_LOGS>
-2.05

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
2.514544315172339

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.895367248482958

> <JCHEM_PKA_STRONGEST_BASIC>
4.0142158810282655

> <JCHEM_POLAR_SURFACE_AREA>
279.13

> <JCHEM_REFRACTIVITY>
95.81429999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.49e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
adenosine triphosphate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0000538
     RDKit          3D
Adenosine triphosphate
 47 49  0  0  0  0  0  0  0  0999 V2000
   -7.9960    0.3681   -0.2310 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6948    0.8914   -0.4575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4635    2.2097   -0.4343 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3035    2.8039   -0.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2155    2.0164   -0.6702 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3098    0.6795   -0.6974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5831    0.0815   -0.5934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3666   -1.2285   -0.6349 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0619   -1.4734   -0.7434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4355   -0.3222   -0.7658 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9919   -0.0700   -0.6983 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3076   -1.2994   -0.8365 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1692   -0.9434   -0.1022 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0606   -1.7218   -0.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0139    0.5869 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1351   -0.3529   -0.5093 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.3715   -0.0067   -1.7985 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6672    1.0750    0.2298 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -1.3703   -0.8656 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3793   -1.5674    0.4480 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.3752   -3.0526    0.7733 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8011   -0.6842    1.7623 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8949   -1.0099    0.0126 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8452    0.4434   -0.8224 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.6843    0.5523   -1.7817 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2344    0.6531   -1.7958 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8073    1.7223    0.2865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7730   -0.7353    1.2452 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0644   -0.2140    2.2098 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8149    0.3159    0.8011 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3196    1.5974    0.8409 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7728    0.6431   -0.8416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1245   -0.3231    0.5390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2260    3.8712   -0.5129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6556   -2.4814   -0.8210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6900    0.6370   -1.4055 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0688    0.1647   -0.4257 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9381   -2.7275    0.2320 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4849   -1.8469   -1.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4745    1.8818   -0.3695 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9169   -1.1557    2.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0390    0.3671   -1.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2579    2.5294   -0.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3414   -1.6085    1.6116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3391   -0.4663    3.1069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7260    0.2086    1.3803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    1.9626    1.7216 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
 13 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
  7  2  1  0
 30 11  1  0
 10  6  1  0
  1 32  1  0
  1 33  1  0
  4 34  1  0
  9 35  1  0
 11 36  1  6
 13 37  1  6
 14 38  1  0
 14 39  1  0
 18 40  1  0
 22 41  1  0
 26 42  1  0
 27 43  1  0
 28 44  1  1
 29 45  1  0
 30 46  1  1
 31 47  1  0
M  END

HEADER    PROTEIN                                 18-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   18-SEP-20         0                                  
HETATM    1  C   UNK     0    8668.5678666.516   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0    8667.6208663.043   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0    8669.8998665.744   0.000  0.00  0.00           O+0
HETATM    4  P   UNK     0    8671.2318666.516   0.000  0.00  0.00           P+0
HETATM    5  O   UNK     0    8672.5798665.771   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0    8670.4658667.851   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0    8672.0058667.851   0.000  0.00  0.00           O+0
HETATM    8  P   UNK     0    8673.9158666.539   0.000  0.00  0.00           P+0
HETATM    9  O   UNK     0    8673.1418667.873   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0    8674.6818667.873   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0    8665.9808666.667   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0    8665.2108664.297   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8666.7508664.297   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8667.2268665.762   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8659.4598666.722   0.000  0.00  0.00           C+0
HETATM   16  N   UNK     0    8658.9838665.258   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0    8660.0148664.113   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0    8661.5208664.433   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0    8661.9968665.898   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8660.9658667.042   0.000  0.00  0.00           C+0
HETATM   21  N   UNK     0    8663.4038666.524   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0    8663.2428668.055   0.000  0.00  0.00           C+0
HETATM   23  N   UNK     0    8661.7368668.376   0.000  0.00  0.00           N+0
HETATM   24  N   UNK     0    8658.4298667.866   0.000  0.00  0.00           N+0
HETATM   25  C   UNK     0    8664.7368665.754   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0    8664.3068663.051   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0    8675.2438665.771   0.000  0.00  0.00           O+0
HETATM   28  P   UNK     0    8676.5798666.539   0.000  0.00  0.00           P+0
HETATM   29  O   UNK     0    8675.8058667.873   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0    8677.9078665.771   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0    8677.3458667.873   0.000  0.00  0.00           O+0
CONECT    1    3   14                                                       
CONECT    2   13                                                            
CONECT    3    1    4                                                       
CONECT    4    3    5    6    7                                             
CONECT    5    4    8                                                       
CONECT    6    4                                                            
CONECT    7    4                                                            
CONECT    8    5    9   10   27                                             
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11   14   25                                                       
CONECT   12   13   25   26                                                  
CONECT   13   12   14    2                                                  
CONECT   14   13   11    1                                                  
CONECT   15   20   16   24                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   20   18   21                                                  
CONECT   20   19   15   23                                                  
CONECT   21   22   19   25                                                  
CONECT   22   23   21                                                       
CONECT   23   22   20                                                       
CONECT   24   15                                                            
CONECT   25   21   12   11                                                  
CONECT   26   12                                                            
CONECT   27   28    8                                                       
CONECT   28   27   29   30   31                                             
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31   28                                                            
MASTER        0    0    0    0    0    0    0    0   31    0   66    0
END

COMPND    HMDB0000538
HETATM    1  N1  UNL     1      -7.996   0.368  -0.231  1.00  0.00           N  
HETATM    2  C1  UNL     1      -6.695   0.891  -0.457  1.00  0.00           C  
HETATM    3  N2  UNL     1      -6.463   2.210  -0.434  1.00  0.00           N  
HETATM    4  C2  UNL     1      -5.304   2.804  -0.533  1.00  0.00           C  
HETATM    5  N3  UNL     1      -4.215   2.016  -0.670  1.00  0.00           N  
HETATM    6  C3  UNL     1      -4.310   0.680  -0.697  1.00  0.00           C  
HETATM    7  C4  UNL     1      -5.583   0.082  -0.593  1.00  0.00           C  
HETATM    8  N4  UNL     1      -5.367  -1.228  -0.635  1.00  0.00           N  
HETATM    9  C5  UNL     1      -4.062  -1.473  -0.743  1.00  0.00           C  
HETATM   10  N5  UNL     1      -3.435  -0.322  -0.766  1.00  0.00           N  
HETATM   11  C6  UNL     1      -1.992  -0.070  -0.698  1.00  0.00           C  
HETATM   12  O1  UNL     1      -1.308  -1.299  -0.837  1.00  0.00           O  
HETATM   13  C7  UNL     1      -0.169  -0.943  -0.102  1.00  0.00           C  
HETATM   14  C8  UNL     1       1.061  -1.722  -0.266  1.00  0.00           C  
HETATM   15  O2  UNL     1       2.000  -1.014   0.587  1.00  0.00           O  
HETATM   16  P1  UNL     1       3.135  -0.353  -0.509  1.00  0.00           P  
HETATM   17  O3  UNL     1       2.372  -0.007  -1.798  1.00  0.00           O  
HETATM   18  O4  UNL     1       3.667   1.075   0.230  1.00  0.00           O  
HETATM   19  O5  UNL     1       4.352  -1.370  -0.866  1.00  0.00           O  
HETATM   20  P2  UNL     1       5.379  -1.567   0.448  1.00  0.00           P  
HETATM   21  O6  UNL     1       5.375  -3.053   0.773  1.00  0.00           O  
HETATM   22  O7  UNL     1       4.801  -0.684   1.762  1.00  0.00           O  
HETATM   23  O8  UNL     1       6.895  -1.010   0.013  1.00  0.00           O  
HETATM   24  P3  UNL     1       6.845   0.443  -0.822  1.00  0.00           P  
HETATM   25  O9  UNL     1       5.684   0.552  -1.782  1.00  0.00           O  
HETATM   26  O10 UNL     1       8.234   0.653  -1.796  1.00  0.00           O  
HETATM   27  O11 UNL     1       6.807   1.722   0.287  1.00  0.00           O  
HETATM   28  C9  UNL     1      -0.773  -0.735   1.245  1.00  0.00           C  
HETATM   29  O12 UNL     1       0.064  -0.214   2.210  1.00  0.00           O  
HETATM   30  C10 UNL     1      -1.815   0.316   0.801  1.00  0.00           C  
HETATM   31  O13 UNL     1      -1.320   1.597   0.841  1.00  0.00           O  
HETATM   32  H1  UNL     1      -8.773   0.643  -0.842  1.00  0.00           H  
HETATM   33  H2  UNL     1      -8.124  -0.323   0.539  1.00  0.00           H  
HETATM   34  H3  UNL     1      -5.226   3.871  -0.513  1.00  0.00           H  
HETATM   35  H4  UNL     1      -3.656  -2.481  -0.821  1.00  0.00           H  
HETATM   36  H5  UNL     1      -1.690   0.637  -1.405  1.00  0.00           H  
HETATM   37  H6  UNL     1       0.069   0.165  -0.426  1.00  0.00           H  
HETATM   38  H7  UNL     1       0.938  -2.727   0.232  1.00  0.00           H  
HETATM   39  H8  UNL     1       1.485  -1.847  -1.227  1.00  0.00           H  
HETATM   40  H9  UNL     1       3.474   1.882  -0.369  1.00  0.00           H  
HETATM   41  H10 UNL     1       4.917  -1.156   2.614  1.00  0.00           H  
HETATM   42  H11 UNL     1       9.039   0.367  -1.333  1.00  0.00           H  
HETATM   43  H12 UNL     1       7.258   2.529  -0.008  1.00  0.00           H  
HETATM   44  H13 UNL     1      -1.341  -1.609   1.612  1.00  0.00           H  
HETATM   45  H14 UNL     1      -0.339  -0.466   3.107  1.00  0.00           H  
HETATM   46  H15 UNL     1      -2.726   0.209   1.380  1.00  0.00           H  
HETATM   47  H16 UNL     1      -1.171   1.963   1.722  1.00  0.00           H  
CONECT    1    2   32   33
CONECT    2    3    3    7
CONECT    3    4
CONECT    4    5    5   34
CONECT    5    6
CONECT    6    7    7   10
CONECT    7    8
CONECT    8    9    9
CONECT    9   10   35
CONECT   10   11
CONECT   11   12   30   36
CONECT   12   13
CONECT   13   14   28   37
CONECT   14   15   38   39
CONECT   15   16
CONECT   16   17   17   18   19
CONECT   18   40
CONECT   19   20
CONECT   20   21   21   22   23
CONECT   22   41
CONECT   23   24
CONECT   24   25   25   26   27
CONECT   26   42
CONECT   27   43
CONECT   28   29   30   44
CONECT   29   45
CONECT   30   31   46
CONECT   31   47
END

HMDB0000538
     RDKit          3D
Adenosine triphosphate
 47 49  0  0  0  0  0  0  0  0999 V2000
   -7.9960    0.3681   -0.2310 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6948    0.8914   -0.4575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4635    2.2097   -0.4343 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3035    2.8039   -0.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2155    2.0164   -0.6702 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3098    0.6795   -0.6974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5831    0.0815   -0.5934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3666   -1.2285   -0.6349 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0619   -1.4734   -0.7434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4355   -0.3222   -0.7658 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9919   -0.0700   -0.6983 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3076   -1.2994   -0.8365 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1692   -0.9434   -0.1022 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0606   -1.7218   -0.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0139    0.5869 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1351   -0.3529   -0.5093 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.3715   -0.0067   -1.7985 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6672    1.0750    0.2298 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -1.3703   -0.8656 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3793   -1.5674    0.4480 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.3752   -3.0526    0.7733 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8011   -0.6842    1.7623 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8949   -1.0099    0.0126 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8452    0.4434   -0.8224 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.6843    0.5523   -1.7817 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2344    0.6531   -1.7958 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8073    1.7223    0.2865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7730   -0.7353    1.2452 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0644   -0.2140    2.2098 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8149    0.3159    0.8011 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3196    1.5974    0.8409 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7728    0.6431   -0.8416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1245   -0.3231    0.5390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2260    3.8712   -0.5129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6556   -2.4814   -0.8210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6900    0.6370   -1.4055 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0688    0.1647   -0.4257 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9381   -2.7275    0.2320 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4849   -1.8469   -1.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4745    1.8818   -0.3695 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9169   -1.1557    2.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0390    0.3671   -1.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2579    2.5294   -0.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3414   -1.6085    1.6116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3391   -0.4663    3.1069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7260    0.2086    1.3803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    1.9626    1.7216 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
 13 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
  7  2  1  0
 30 11  1  0
 10  6  1  0
  1 32  1  0
  1 33  1  0
  4 34  1  0
  9 35  1  0
 11 36  1  6
 13 37  1  6
 14 38  1  0
 14 39  1  0
 18 40  1  0
 22 41  1  0
 26 42  1  0
 27 43  1  0
 28 44  1  1
 29 45  1  0
 30 46  1  1
 31 47  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Adenosine 5'-triphosphate	ChEBI
Adenosine-5'-triphosphate	ChEBI
Adephos	ChEBI
Adetol	ChEBI
Adynol	ChEBI
Atipi	ChEBI
Atriphos	ChEBI
Cardenosine	ChEBI
Fosfobion	ChEBI
Glucobasin	ChEBI
H4ATP	ChEBI
Myotriphos	ChEBI
Triadenyl	ChEBI
Triphosphaden	ChEBI
Adenosine 5'-triphosphoric acid	Generator
Adenosine triphosphoric acid	Generator
ADENOSINE-5'-triphosphoric acid	Generator
5'-(Tetrahydrogen triphosphate) adenosine	HMDB
5'-ATP	HMDB
Adenosine 5'-triphosphorate	HMDB
Adenylpyrophosphorate	HMDB
Adenylpyrophosphoric acid	HMDB
ATP	HMDB, KEGG
Phosphobion	HMDB
Striadyne	HMDB, MeSH
Triphosphoric acid adenosine ester	HMDB
Adenylpyrophosphate	MeSH, HMDB
5’-ATP	HMDB
Adenosine 5’-triphosphate	HMDB
Adenosine 5’-triphosphoric acid	HMDB
Adenosine triphosphate	HMDB
Adenosine-5’-triphosphate	HMDB

Chemical Formula

C₁₀H₁₆N₅O₁₃P₃

Average Molecular Weight

507.181

Monoisotopic Molecular Weight

506.995745159

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)phosphonic acid

Traditional Name

adenosine triphosphate

CAS Registry Number

56-65-5

SMILES

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

InChI Identifier

InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

InChI Key

ZKHQWZAMYRWXGA-KQYNXXCUSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as purine ribonucleoside triphosphates. These are purine ribobucleotides with a triphosphate 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 triphosphates

Alternative Parents

Substituents

Purine ribonucleoside triphosphate
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:15422 )
purine ribonucleoside 5'-triphosphate (CHEBI:15422 )
Ribonucleotides (C00002 )
Coenzymes (C00002 )

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	1000 mg/mL; 862 mg/mL (magnesium salt)	MERCK INDEX (1996); Human Metabolome Project (salt)
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct Type	Data Source	CCS Value (Å²)	Reference
[M-H]-	Not Available	190.3	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000106
[M+H]+	Not Available	196.8	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000106

Predicted Molecular Properties

Property	Value	Source
Water Solubility	4.49 g/L	ALOGPS
logP	-0.84	ALOGPS
logP	-5.8	ChemAxon
logS	-2	ALOGPS
pKa (Strongest Acidic)	0.9	ChemAxon
pKa (Strongest Basic)	4.01	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	279.13 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	95.81 m³·mol⁻¹	ChemAxon
Polarizability	38.92 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]+	208.263	31661259
DarkChem	[M-H]-	193.664	31661259
AllCCS	[M+H]+	198.889	32859911
AllCCS	[M-H]-	190.183	32859911
DeepCCS	[M+H]+	171.693	30932474
DeepCCS	[M-H]-	168.896	30932474
DeepCCS	[M-2H]-	204.711	30932474
DeepCCS	[M+Na]+	179.747	30932474
AllCCS	[M+H]+	198.9	32859911
AllCCS	[M+H-H2O]+	197.1	32859911
AllCCS	[M+NH4]+	200.5	32859911
AllCCS	[M+Na]+	201.0	32859911
AllCCS	[M-H]-	190.2	32859911
AllCCS	[M+Na-2H]-	190.4	32859911
AllCCS	[M+HCOO]-	190.8	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Adenosine triphosphate	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O	4872.9	Standard polar	33892256
Adenosine triphosphate	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O	2705.4	Standard non polar	33892256
Adenosine triphosphate	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O	4236.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Adenosine triphosphate,1TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	4063.1	Semi standard non polar	33892256
Adenosine triphosphate,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)O)O[C@H]1N1C=NC2=C(N)N=CN=C21	4062.2	Semi standard non polar	33892256
Adenosine triphosphate,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)O	4096.5	Semi standard non polar	33892256
Adenosine triphosphate,1TMS,isomer #4	C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	4117.6	Semi standard non polar	33892256
Adenosine triphosphate,1TMS,isomer #5	C[Si](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	4096.9	Semi standard non polar	33892256
Adenosine triphosphate,1TMS,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)O)[C@@H](O)[C@H]1O	4094.0	Semi standard non polar	33892256
Adenosine triphosphate,2TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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	3912.8	Semi standard non polar	33892256
Adenosine triphosphate,2TMS,isomer #10	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)O	4029.2	Semi standard non polar	33892256
Adenosine triphosphate,2TMS,isomer #11	C[Si](C)(C)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	4010.1	Semi standard non polar	33892256
Adenosine triphosphate,2TMS,isomer #12	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)O)[C@@H](O)[C@H]1O	4033.6	Semi standard non polar	33892256
Adenosine triphosphate,2TMS,isomer #13	C[Si](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	4019.7	Semi standard non polar	33892256
Adenosine triphosphate,2TMS,isomer #14	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)O)[C@@H](O)[C@H]1O	4045.3	Semi standard non polar	33892256
Adenosine triphosphate,2TMS,isomer #15	C[Si](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	4013.2	Semi standard non polar	33892256
Adenosine triphosphate,2TMS,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)O[Si](C)(C)C)[C@@H](O)[C@H]1O	4022.7	Semi standard non polar	33892256
Adenosine triphosphate,2TMS,isomer #17	C[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O)[Si](C)(C)C	4032.4	Semi standard non polar	33892256
Adenosine triphosphate,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)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	3968.3	Semi standard non polar	33892256
Adenosine triphosphate,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)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	3979.7	Semi standard non polar	33892256
Adenosine triphosphate,2TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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	3948.9	Semi standard non polar	33892256
Adenosine triphosphate,2TMS,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)O)[C@@H](O[Si](C)(C)C)[C@H]1O	3965.9	Semi standard non polar	33892256
Adenosine triphosphate,2TMS,isomer #6	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)O)O[C@H]1N1C=NC2=C(N)N=CN=C21	3962.2	Semi standard non polar	33892256
Adenosine triphosphate,2TMS,isomer #7	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)O)O[C@H]1N1C=NC2=C(N)N=CN=C21	3975.0	Semi standard non polar	33892256
Adenosine triphosphate,2TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	3945.1	Semi standard non polar	33892256
Adenosine triphosphate,2TMS,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)O)[C@@H](O)[C@H]1O[Si](C)(C)C	3963.3	Semi standard non polar	33892256
Adenosine triphosphate,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)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	3831.9	Semi standard non polar	33892256
Adenosine triphosphate,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)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	3664.3	Standard non polar	33892256
Adenosine triphosphate,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)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	6588.5	Standard polar	33892256
Adenosine triphosphate,3TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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	3860.2	Semi standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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	3689.4	Standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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	6424.9	Standard polar	33892256
Adenosine triphosphate,3TMS,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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3866.9	Semi standard non polar	33892256
Adenosine triphosphate,3TMS,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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3778.9	Standard non polar	33892256
Adenosine triphosphate,3TMS,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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	6410.2	Standard polar	33892256
Adenosine triphosphate,3TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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	3872.9	Semi standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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	3821.4	Standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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	6489.8	Standard polar	33892256
Adenosine triphosphate,3TMS,isomer #13	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)O)O[C@H]1N1C=NC2=C(N)N=CN=C21	3874.9	Semi standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #13	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)O)O[C@H]1N1C=NC2=C(N)N=CN=C21	3742.8	Standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #13	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)O)O[C@H]1N1C=NC2=C(N)N=CN=C21	6415.0	Standard polar	33892256
Adenosine triphosphate,3TMS,isomer #14	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)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	3849.9	Semi standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #14	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)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	3721.2	Standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #14	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)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	6409.6	Standard polar	33892256
Adenosine triphosphate,3TMS,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)O)[C@@H](O)[C@H]1O[Si](C)(C)C	3886.9	Semi standard non polar	33892256
Adenosine triphosphate,3TMS,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)O)[C@@H](O)[C@H]1O[Si](C)(C)C	3799.0	Standard non polar	33892256
Adenosine triphosphate,3TMS,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)O)[C@@H](O)[C@H]1O[Si](C)(C)C	6383.2	Standard polar	33892256
Adenosine triphosphate,3TMS,isomer #16	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)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	3856.2	Semi standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #16	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)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	3731.0	Standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #16	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)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	6448.8	Standard polar	33892256
Adenosine triphosphate,3TMS,isomer #17	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)O)[C@@H](O)[C@H]1O[Si](C)(C)C	3888.5	Semi standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #17	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)O)[C@@H](O)[C@H]1O[Si](C)(C)C	3808.1	Standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #17	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)O)[C@@H](O)[C@H]1O[Si](C)(C)C	6388.7	Standard polar	33892256
Adenosine triphosphate,3TMS,isomer #18	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)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	3853.1	Semi standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #18	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)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	3697.9	Standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #18	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)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	6439.6	Standard polar	33892256
Adenosine triphosphate,3TMS,isomer #19	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3868.1	Semi standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #19	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3785.1	Standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #19	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	6423.1	Standard polar	33892256
Adenosine triphosphate,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)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	3837.9	Semi standard non polar	33892256
Adenosine triphosphate,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)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	3668.4	Standard non polar	33892256
Adenosine triphosphate,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)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	6642.9	Standard polar	33892256
Adenosine triphosphate,3TMS,isomer #20	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=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	3868.7	Semi standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #20	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=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	3829.2	Standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #20	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=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	6503.1	Standard polar	33892256
Adenosine triphosphate,3TMS,isomer #21	C[Si](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	3909.0	Semi standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #21	C[Si](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	3824.4	Standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #21	C[Si](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	6257.9	Standard polar	33892256
Adenosine triphosphate,3TMS,isomer #22	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)O)[C@@H](O)[C@H]1O	3951.9	Semi standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #22	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)O)[C@@H](O)[C@H]1O	3895.6	Standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #22	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)O)[C@@H](O)[C@H]1O	6152.2	Standard polar	33892256
Adenosine triphosphate,3TMS,isomer #23	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)O[Si](C)(C)C	3916.2	Semi standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #23	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)O[Si](C)(C)C	3792.8	Standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #23	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)O[Si](C)(C)C	6276.1	Standard polar	33892256
Adenosine triphosphate,3TMS,isomer #24	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)O[Si](C)(C)C)[C@@H](O)[C@H]1O	3932.8	Semi standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #24	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)O[Si](C)(C)C)[C@@H](O)[C@H]1O	3872.0	Standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #24	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)O[Si](C)(C)C)[C@@H](O)[C@H]1O	6211.0	Standard polar	33892256
Adenosine triphosphate,3TMS,isomer #25	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)O	3943.1	Semi standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #25	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)O	3903.6	Standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #25	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)O	6276.0	Standard polar	33892256
Adenosine triphosphate,3TMS,isomer #26	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	3914.3	Semi standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #26	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	3800.7	Standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #26	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	6300.7	Standard polar	33892256
Adenosine triphosphate,3TMS,isomer #27	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)O[Si](C)(C)C)[C@@H](O)[C@H]1O	3932.4	Semi standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #27	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)O[Si](C)(C)C)[C@@H](O)[C@H]1O	3888.0	Standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #27	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)O[Si](C)(C)C)[C@@H](O)[C@H]1O	6203.9	Standard polar	33892256
Adenosine triphosphate,3TMS,isomer #28	C[Si](C)(C)OP(=O)(OP(=O)(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	3946.5	Semi standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #28	C[Si](C)(C)OP(=O)(OP(=O)(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	3926.0	Standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #28	C[Si](C)(C)OP(=O)(OP(=O)(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	6268.8	Standard polar	33892256
Adenosine triphosphate,3TMS,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[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	3936.4	Semi standard non polar	33892256
Adenosine triphosphate,3TMS,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[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	3847.7	Standard non polar	33892256
Adenosine triphosphate,3TMS,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[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	6237.7	Standard polar	33892256
Adenosine triphosphate,3TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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	3807.0	Semi standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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	3649.7	Standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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	6609.8	Standard polar	33892256
Adenosine triphosphate,3TMS,isomer #30	C[Si](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	3933.0	Semi standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #30	C[Si](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	3892.7	Standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #30	C[Si](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	6320.0	Standard polar	33892256
Adenosine triphosphate,3TMS,isomer #4	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3839.5	Semi standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #4	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3730.3	Standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #4	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	6626.9	Standard polar	33892256
Adenosine triphosphate,3TMS,isomer #5	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)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	3883.4	Semi standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #5	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)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	3732.5	Standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #5	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)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	6401.5	Standard polar	33892256
Adenosine triphosphate,3TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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	3857.3	Semi standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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	3710.7	Standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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	6396.9	Standard polar	33892256
Adenosine triphosphate,3TMS,isomer #7	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)O)[C@@H](O[Si](C)(C)C)[C@H]1O	3887.4	Semi standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #7	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)O)[C@@H](O[Si](C)(C)C)[C@H]1O	3790.7	Standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #7	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)O)[C@@H](O[Si](C)(C)C)[C@H]1O	6363.0	Standard polar	33892256
Adenosine triphosphate,3TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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	3864.3	Semi standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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	3722.1	Standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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	6433.9	Standard polar	33892256
Adenosine triphosphate,3TMS,isomer #9	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)O)[C@@H](O[Si](C)(C)C)[C@H]1O	3889.6	Semi standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #9	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)O)[C@@H](O[Si](C)(C)C)[C@H]1O	3801.6	Standard non polar	33892256
Adenosine triphosphate,3TMS,isomer #9	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)O)[C@@H](O[Si](C)(C)C)[C@H]1O	6375.6	Standard polar	33892256
Adenosine triphosphate,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)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	3775.1	Semi standard non polar	33892256
Adenosine triphosphate,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)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	3604.6	Standard non polar	33892256
Adenosine triphosphate,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)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	6248.8	Standard polar	33892256
Adenosine triphosphate,4TMS,isomer #10	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)O)[C@@H](O[Si](C)(C)C)[C@H]1O	3860.4	Semi standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #10	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)O)[C@@H](O[Si](C)(C)C)[C@H]1O	3777.8	Standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #10	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)O)[C@@H](O[Si](C)(C)C)[C@H]1O	5884.6	Standard polar	33892256
Adenosine triphosphate,4TMS,isomer #11	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)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	3815.6	Semi standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #11	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)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	3624.1	Standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #11	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)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	6085.0	Standard polar	33892256
Adenosine triphosphate,4TMS,isomer #12	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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3850.2	Semi standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #12	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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3755.6	Standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #12	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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	5960.0	Standard polar	33892256
Adenosine triphosphate,4TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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	3839.2	Semi standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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	3784.5	Standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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	5966.8	Standard polar	33892256
Adenosine triphosphate,4TMS,isomer #14	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)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	3817.7	Semi standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #14	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)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	3631.7	Standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #14	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)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	6090.7	Standard polar	33892256
Adenosine triphosphate,4TMS,isomer #15	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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3845.8	Semi standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #15	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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3766.4	Standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #15	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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	5936.6	Standard polar	33892256
Adenosine triphosphate,4TMS,isomer #16	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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	3836.2	Semi standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #16	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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	3801.1	Standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #16	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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	5929.0	Standard polar	33892256
Adenosine triphosphate,4TMS,isomer #17	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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3849.2	Semi standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #17	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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3735.7	Standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #17	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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	5988.8	Standard polar	33892256
Adenosine triphosphate,4TMS,isomer #18	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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	3827.2	Semi standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #18	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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	3777.0	Standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #18	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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	6020.2	Standard polar	33892256
Adenosine triphosphate,4TMS,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[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	3803.3	Semi standard non polar	33892256
Adenosine triphosphate,4TMS,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[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	3666.7	Standard non polar	33892256
Adenosine triphosphate,4TMS,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[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	6066.4	Standard polar	33892256
Adenosine triphosphate,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)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	3770.2	Semi standard non polar	33892256
Adenosine triphosphate,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)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	3584.2	Standard non polar	33892256
Adenosine triphosphate,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)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	6260.8	Standard polar	33892256
Adenosine triphosphate,4TMS,isomer #20	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)O)[C@@H](O)[C@H]1O[Si](C)(C)C	3861.9	Semi standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #20	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)O)[C@@H](O)[C@H]1O[Si](C)(C)C	3788.0	Standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #20	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)O)[C@@H](O)[C@H]1O[Si](C)(C)C	5906.4	Standard polar	33892256
Adenosine triphosphate,4TMS,isomer #21	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)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	3805.0	Semi standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #21	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)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	3633.9	Standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #21	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)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	6098.6	Standard polar	33892256
Adenosine triphosphate,4TMS,isomer #22	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)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3850.8	Semi standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #22	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)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3766.5	Standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #22	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)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	5980.8	Standard polar	33892256
Adenosine triphosphate,4TMS,isomer #23	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)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	3832.9	Semi standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #23	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)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	3795.7	Standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #23	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)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	5990.5	Standard polar	33892256
Adenosine triphosphate,4TMS,isomer #24	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)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	3808.1	Semi standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #24	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)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	3640.7	Standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #24	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)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	6105.2	Standard polar	33892256
Adenosine triphosphate,4TMS,isomer #25	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)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3849.0	Semi standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #25	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)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3775.3	Standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #25	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)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	5949.4	Standard polar	33892256
Adenosine triphosphate,4TMS,isomer #26	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)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	3830.9	Semi standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #26	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)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	3810.7	Standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #26	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)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	5943.2	Standard polar	33892256
Adenosine triphosphate,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)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3849.6	Semi standard non polar	33892256
Adenosine triphosphate,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)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3744.5	Standard non polar	33892256
Adenosine triphosphate,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)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	6001.4	Standard polar	33892256
Adenosine triphosphate,4TMS,isomer #28	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=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	3824.1	Semi standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #28	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=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	3786.0	Standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #28	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=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	6033.8	Standard polar	33892256
Adenosine triphosphate,4TMS,isomer #29	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)O[Si](C)(C)C	3857.5	Semi standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #29	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)O[Si](C)(C)C	3715.8	Standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #29	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)O[Si](C)(C)C	5921.7	Standard polar	33892256
Adenosine triphosphate,4TMS,isomer #3	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)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3817.4	Semi standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #3	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)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3714.1	Standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #3	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)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	6148.9	Standard polar	33892256
Adenosine triphosphate,4TMS,isomer #30	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)O[Si](C)(C)C)[C@@H](O)[C@H]1O	3906.2	Semi standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #30	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)O[Si](C)(C)C)[C@@H](O)[C@H]1O	3842.1	Standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #30	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)O[Si](C)(C)C)[C@@H](O)[C@H]1O	5752.9	Standard polar	33892256
Adenosine triphosphate,4TMS,isomer #31	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)O	3896.7	Semi standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #31	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)O	3876.4	Standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #31	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)O	5743.0	Standard polar	33892256
Adenosine triphosphate,4TMS,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)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	3912.6	Semi standard non polar	33892256
Adenosine triphosphate,4TMS,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)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	3808.1	Standard non polar	33892256
Adenosine triphosphate,4TMS,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)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	5794.4	Standard polar	33892256
Adenosine triphosphate,4TMS,isomer #33	C[Si](C)(C)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	3892.8	Semi standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #33	C[Si](C)(C)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	3847.0	Standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #33	C[Si](C)(C)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	5836.4	Standard polar	33892256
Adenosine triphosphate,4TMS,isomer #34	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)O[Si](C)(C)C)[C@@H](O)[C@H]1O	3908.9	Semi standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #34	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)O[Si](C)(C)C)[C@@H](O)[C@H]1O	3816.5	Standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #34	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)O[Si](C)(C)C)[C@@H](O)[C@H]1O	5781.0	Standard polar	33892256
Adenosine triphosphate,4TMS,isomer #35	C[Si](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([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	3890.5	Semi standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #35	C[Si](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([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	3867.5	Standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #35	C[Si](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([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	5792.2	Standard polar	33892256
Adenosine triphosphate,4TMS,isomer #36	C[Si](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([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	3893.7	Semi standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #36	C[Si](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([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	3831.1	Standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #36	C[Si](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([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	5855.3	Standard polar	33892256
Adenosine triphosphate,4TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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	3777.6	Semi standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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	3594.3	Standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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	6277.7	Standard polar	33892256
Adenosine triphosphate,4TMS,isomer #5	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)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3815.1	Semi standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #5	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)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3718.9	Standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #5	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)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	6130.3	Standard polar	33892256
Adenosine triphosphate,4TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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	3771.0	Semi standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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	3568.4	Standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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	6283.9	Standard polar	33892256
Adenosine triphosphate,4TMS,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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3800.7	Semi standard non polar	33892256
Adenosine triphosphate,4TMS,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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3704.5	Standard non polar	33892256
Adenosine triphosphate,4TMS,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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	6197.7	Standard polar	33892256
Adenosine triphosphate,4TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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	3783.1	Semi standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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	3734.5	Standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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	6209.5	Standard polar	33892256
Adenosine triphosphate,4TMS,isomer #9	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)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	3813.4	Semi standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #9	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)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	3656.9	Standard non polar	33892256
Adenosine triphosphate,4TMS,isomer #9	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)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	6052.0	Standard polar	33892256
Adenosine triphosphate,5TMS,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)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	3778.1	Semi standard non polar	33892256
Adenosine triphosphate,5TMS,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)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	3521.9	Standard non polar	33892256
Adenosine triphosphate,5TMS,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)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	5934.6	Standard polar	33892256
Adenosine triphosphate,5TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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[Si](C)(C)C	3786.4	Semi standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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[Si](C)(C)C	3664.5	Standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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[Si](C)(C)C	5774.0	Standard polar	33892256
Adenosine triphosphate,5TMS,isomer #11	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)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	3816.8	Semi standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #11	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)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	3552.0	Standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #11	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)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	5732.8	Standard polar	33892256
Adenosine triphosphate,5TMS,isomer #12	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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3851.8	Semi standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #12	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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3710.8	Standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #12	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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	5503.6	Standard polar	33892256
Adenosine triphosphate,5TMS,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)O)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O	3848.3	Semi standard non polar	33892256
Adenosine triphosphate,5TMS,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)O)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O	3732.0	Standard non polar	33892256
Adenosine triphosphate,5TMS,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)O)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O	5454.1	Standard polar	33892256
Adenosine triphosphate,5TMS,isomer #14	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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3850.4	Semi standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #14	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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3679.4	Standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #14	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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	5575.8	Standard polar	33892256
Adenosine triphosphate,5TMS,isomer #15	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)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	3838.9	Semi standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #15	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)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	3707.7	Standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #15	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)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	5568.4	Standard polar	33892256
Adenosine triphosphate,5TMS,isomer #16	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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3853.6	Semi standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #16	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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3684.8	Standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #16	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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	5545.3	Standard polar	33892256
Adenosine triphosphate,5TMS,isomer #17	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)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	3838.6	Semi standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #17	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)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	3724.7	Standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #17	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)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	5508.2	Standard polar	33892256
Adenosine triphosphate,5TMS,isomer #18	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)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	3837.1	Semi standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #18	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)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	3692.3	Standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #18	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)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	5597.3	Standard polar	33892256
Adenosine triphosphate,5TMS,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[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	3810.6	Semi standard non polar	33892256
Adenosine triphosphate,5TMS,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[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	3561.1	Standard non polar	33892256
Adenosine triphosphate,5TMS,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[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	5751.5	Standard polar	33892256
Adenosine triphosphate,5TMS,isomer #2	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)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3813.4	Semi standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #2	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)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3665.8	Standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #2	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)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	5680.3	Standard polar	33892256
Adenosine triphosphate,5TMS,isomer #20	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)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3857.1	Semi standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #20	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)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3720.8	Standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #20	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)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	5528.5	Standard polar	33892256
Adenosine triphosphate,5TMS,isomer #21	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)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	3843.4	Semi standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #21	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)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	3741.3	Standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #21	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)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	5480.1	Standard polar	33892256
Adenosine triphosphate,5TMS,isomer #22	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)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3853.6	Semi standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #22	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)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3689.5	Standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #22	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)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	5599.5	Standard polar	33892256
Adenosine triphosphate,5TMS,isomer #23	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)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	3833.0	Semi standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #23	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)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	3717.3	Standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #23	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)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	5592.0	Standard polar	33892256
Adenosine triphosphate,5TMS,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[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3858.5	Semi standard non polar	33892256
Adenosine triphosphate,5TMS,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[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3695.2	Standard non polar	33892256
Adenosine triphosphate,5TMS,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[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	5558.8	Standard polar	33892256
Adenosine triphosphate,5TMS,isomer #25	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)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	3835.8	Semi standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #25	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)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	3735.4	Standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #25	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)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	5521.9	Standard polar	33892256
Adenosine triphosphate,5TMS,isomer #26	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)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	3832.8	Semi standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #26	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)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	3702.5	Standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #26	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)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	5610.2	Standard polar	33892256
Adenosine triphosphate,5TMS,isomer #27	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)O[Si](C)(C)C)[C@@H](O)[C@H]1O	3902.1	Semi standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #27	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)O[Si](C)(C)C)[C@@H](O)[C@H]1O	3756.6	Standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #27	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)O[Si](C)(C)C)[C@@H](O)[C@H]1O	5346.3	Standard polar	33892256
Adenosine triphosphate,5TMS,isomer #28	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(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)O[Si](C)(C)C	3890.6	Semi standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #28	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(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)O[Si](C)(C)C	3786.3	Standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #28	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(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)O[Si](C)(C)C	5351.9	Standard polar	33892256
Adenosine triphosphate,5TMS,isomer #29	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)O[Si](C)(C)C	3896.1	Semi standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #29	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)O[Si](C)(C)C	3754.4	Standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #29	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)O[Si](C)(C)C	5424.3	Standard polar	33892256
Adenosine triphosphate,5TMS,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[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	3772.0	Semi standard non polar	33892256
Adenosine triphosphate,5TMS,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[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	3492.2	Standard non polar	33892256
Adenosine triphosphate,5TMS,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[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	5981.4	Standard polar	33892256
Adenosine triphosphate,5TMS,isomer #30	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	3892.9	Semi standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #30	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	3769.2	Standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #30	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	5381.0	Standard polar	33892256
Adenosine triphosphate,5TMS,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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3811.9	Semi standard non polar	33892256
Adenosine triphosphate,5TMS,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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3649.6	Standard non polar	33892256
Adenosine triphosphate,5TMS,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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	5779.4	Standard polar	33892256
Adenosine triphosphate,5TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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[Si](C)(C)C	3799.1	Semi standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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[Si](C)(C)C	3670.9	Standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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[Si](C)(C)C	5725.1	Standard polar	33892256
Adenosine triphosphate,5TMS,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[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	3777.0	Semi standard non polar	33892256
Adenosine triphosphate,5TMS,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[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	3499.8	Standard non polar	33892256
Adenosine triphosphate,5TMS,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[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	5964.6	Standard polar	33892256
Adenosine triphosphate,5TMS,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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3814.9	Semi standard non polar	33892256
Adenosine triphosphate,5TMS,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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3657.0	Standard non polar	33892256
Adenosine triphosphate,5TMS,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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	5728.5	Standard polar	33892256
Adenosine triphosphate,5TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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[Si](C)(C)C	3801.7	Semi standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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[Si](C)(C)C	3682.4	Standard non polar	33892256
Adenosine triphosphate,5TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](COP(=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[Si](C)(C)C	5664.9	Standard polar	33892256
Adenosine triphosphate,5TMS,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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3809.2	Semi standard non polar	33892256
Adenosine triphosphate,5TMS,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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3634.0	Standard non polar	33892256
Adenosine triphosphate,5TMS,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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	5808.5	Standard polar	33892256
Adenosine triphosphate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	4294.5	Semi standard non polar	33892256
Adenosine triphosphate,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)O)O[C@H]1N1C=NC2=C(N)N=CN=C21	4294.5	Semi standard non polar	33892256
Adenosine triphosphate,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)O	4323.2	Semi standard non polar	33892256
Adenosine triphosphate,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	4340.8	Semi standard non polar	33892256
Adenosine triphosphate,1TBDMS,isomer #5	CC(C)(C)[Si](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	4318.0	Semi standard non polar	33892256
Adenosine triphosphate,1TBDMS,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)O)[C@@H](O)[C@H]1O	4317.2	Semi standard non polar	33892256
Adenosine triphosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=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	4322.5	Semi standard non polar	33892256
Adenosine triphosphate,2TBDMS,isomer #10	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)O	4423.4	Semi standard non polar	33892256
Adenosine triphosphate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)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	4397.5	Semi standard non polar	33892256
Adenosine triphosphate,2TBDMS,isomer #12	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)O)[C@@H](O)[C@H]1O	4403.4	Semi standard non polar	33892256
Adenosine triphosphate,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	4408.6	Semi standard non polar	33892256
Adenosine triphosphate,2TBDMS,isomer #14	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)O)[C@@H](O)[C@H]1O	4411.7	Semi standard non polar	33892256
Adenosine triphosphate,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	4407.4	Semi standard non polar	33892256
Adenosine triphosphate,2TBDMS,isomer #16	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)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	4401.7	Semi standard non polar	33892256
Adenosine triphosphate,2TBDMS,isomer #17	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)O)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	4395.7	Semi standard non polar	33892256
Adenosine triphosphate,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)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	4375.2	Semi standard non polar	33892256
Adenosine triphosphate,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)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	4392.6	Semi standard non polar	33892256
Adenosine triphosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=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	4358.9	Semi standard non polar	33892256
Adenosine triphosphate,2TBDMS,isomer #5	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)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4340.7	Semi standard non polar	33892256
Adenosine triphosphate,2TBDMS,isomer #6	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)O)O[C@H]1N1C=NC2=C(N)N=CN=C21	4371.1	Semi standard non polar	33892256
Adenosine triphosphate,2TBDMS,isomer #7	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)O)O[C@H]1N1C=NC2=C(N)N=CN=C21	4386.9	Semi standard non polar	33892256
Adenosine triphosphate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=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	4352.3	Semi standard non polar	33892256
Adenosine triphosphate,2TBDMS,isomer #9	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)O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4343.6	Semi standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #1	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)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C	4400.1	Semi standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #1	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)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C	4055.7	Standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #1	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)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C	6697.5	Standard polar	33892256
Adenosine triphosphate,3TBDMS,isomer #10	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)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	4438.0	Semi standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #10	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)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	4050.8	Standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #10	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)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	6564.9	Standard polar	33892256
Adenosine triphosphate,3TBDMS,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)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4410.9	Semi standard non polar	33892256
Adenosine triphosphate,3TBDMS,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)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4229.5	Standard non polar	33892256
Adenosine triphosphate,3TBDMS,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)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	6483.7	Standard polar	33892256
Adenosine triphosphate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@@H]1O	4391.1	Semi standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@@H]1O	4273.1	Standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@@H]1O	6456.5	Standard polar	33892256
Adenosine triphosphate,3TBDMS,isomer #13	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[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C21	4441.5	Semi standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #13	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[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C21	4099.3	Standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #13	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[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C21	6527.8	Standard polar	33892256
Adenosine triphosphate,3TBDMS,isomer #14	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)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	4420.1	Semi standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #14	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)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	4088.4	Standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #14	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)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	6537.2	Standard polar	33892256
Adenosine triphosphate,3TBDMS,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)O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4423.1	Semi standard non polar	33892256
Adenosine triphosphate,3TBDMS,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)O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4230.3	Standard non polar	33892256
Adenosine triphosphate,3TBDMS,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)O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	6467.1	Standard polar	33892256
Adenosine triphosphate,3TBDMS,isomer #16	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)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	4429.1	Semi standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #16	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)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	4099.4	Standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #16	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)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	6548.9	Standard polar	33892256
Adenosine triphosphate,3TBDMS,isomer #17	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)O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4432.0	Semi standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #17	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)O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4239.9	Standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #17	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)O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	6445.7	Standard polar	33892256
Adenosine triphosphate,3TBDMS,isomer #18	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)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	4431.2	Semi standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #18	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)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	4059.2	Standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #18	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)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	6578.6	Standard polar	33892256
Adenosine triphosphate,3TBDMS,isomer #19	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)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4411.4	Semi standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #19	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)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4234.8	Standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #19	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)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	6495.3	Standard polar	33892256
Adenosine triphosphate,3TBDMS,isomer #2	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)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C	4408.9	Semi standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #2	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)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C	4064.6	Standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #2	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)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C	6721.3	Standard polar	33892256
Adenosine triphosphate,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C21	4393.4	Semi standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C21	4278.3	Standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C21	6468.4	Standard polar	33892256
Adenosine triphosphate,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	4465.8	Semi standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	4133.6	Standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	6376.0	Standard polar	33892256
Adenosine triphosphate,3TBDMS,isomer #22	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[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O	4485.0	Semi standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #22	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[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O	4265.5	Standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #22	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[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O	6280.9	Standard polar	33892256
Adenosine triphosphate,3TBDMS,isomer #23	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)O[Si](C)(C)C(C)(C)C	4476.7	Semi standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #23	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)O[Si](C)(C)C(C)(C)C	4090.9	Standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #23	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)O[Si](C)(C)C(C)(C)C	6431.3	Standard polar	33892256
Adenosine triphosphate,3TBDMS,isomer #24	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)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	4477.3	Semi standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #24	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)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	4254.8	Standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #24	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)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	6345.2	Standard polar	33892256
Adenosine triphosphate,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O)OP(=O)(O)O	4439.8	Semi standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O)OP(=O)(O)O	4305.3	Standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O)OP(=O)(O)O	6327.1	Standard polar	33892256
Adenosine triphosphate,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	4475.7	Semi standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	4098.6	Standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	6432.0	Standard polar	33892256
Adenosine triphosphate,3TBDMS,isomer #27	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)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	4480.7	Semi standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #27	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)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	4268.8	Standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #27	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)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	6318.2	Standard polar	33892256
Adenosine triphosphate,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	4452.4	Semi standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	4324.5	Standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	6290.2	Standard polar	33892256
Adenosine triphosphate,3TBDMS,isomer #29	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)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	4482.3	Semi standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #29	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)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	4220.5	Standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #29	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)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	6379.8	Standard polar	33892256
Adenosine triphosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=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[Si](C)(C)C(C)(C)C	4383.5	Semi standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=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[Si](C)(C)C(C)(C)C	4056.4	Standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=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[Si](C)(C)C(C)(C)C	6711.0	Standard polar	33892256
Adenosine triphosphate,3TBDMS,isomer #30	CC(C)(C)[Si](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(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	4438.0	Semi standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #30	CC(C)(C)[Si](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(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	4310.2	Standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #30	CC(C)(C)[Si](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(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	6357.0	Standard polar	33892256
Adenosine triphosphate,3TBDMS,isomer #4	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)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4360.4	Semi standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #4	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)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4195.9	Standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #4	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)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	6622.6	Standard polar	33892256
Adenosine triphosphate,3TBDMS,isomer #5	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[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	4445.1	Semi standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #5	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[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	4089.6	Standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #5	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[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	6513.4	Standard polar	33892256
Adenosine triphosphate,3TBDMS,isomer #6	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)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	4429.4	Semi standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #6	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)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	4078.6	Standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #6	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)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	6523.5	Standard polar	33892256
Adenosine triphosphate,3TBDMS,isomer #7	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)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4423.8	Semi standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #7	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)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4223.1	Standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #7	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)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	6447.7	Standard polar	33892256
Adenosine triphosphate,3TBDMS,isomer #8	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)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	4435.3	Semi standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #8	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)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	4091.2	Standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #8	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)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	6535.3	Standard polar	33892256
Adenosine triphosphate,3TBDMS,isomer #9	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)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4429.4	Semi standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #9	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)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4234.1	Standard non polar	33892256
Adenosine triphosphate,3TBDMS,isomer #9	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)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	6433.7	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine triphosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-004j-9785600000-9d385d54b8bf3d01c79a	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine triphosphate GC-MS (2 TMS) - 70eV, Positive	splash10-0f7a-2129514000-9059f6c87291f92b0cb5	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine triphosphate GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine triphosphate GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine triphosphate GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine triphosphate GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine triphosphate GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine triphosphate GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine triphosphate GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine triphosphate GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine triphosphate GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine triphosphate GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine triphosphate GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine triphosphate GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine triphosphate GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine triphosphate GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine triphosphate GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine triphosphate GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine triphosphate GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine triphosphate GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine triphosphate GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine triphosphate GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine triphosphate GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine triphosphate GC-MS (TMS_2_17) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Adenosine triphosphate GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Adenosine triphosphate LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientific ) , Negative-QTOF	splash10-0a4i-0131190000-316dbdca27f38ad8ee57	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Adenosine triphosphate LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientific ) , Negative-QTOF	splash10-004i-0000900000-f5ffc4694dfd302fd52d	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Adenosine triphosphate LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientific ) , Negative-QTOF	splash10-0a4i-0000900000-e9a09b9360491c310280	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Adenosine triphosphate LC-ESI-ITFT , negative-QTOF	splash10-004i-0000900000-f5ffc4694dfd302fd52d	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Adenosine triphosphate LC-ESI-ITFT , negative-QTOF	splash10-0a4i-0000900000-e9a09b9360491c310280	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Adenosine triphosphate n/a 35V, positive-QTOF	splash10-03di-0003900000-82c389314f7350fab875	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Adenosine triphosphate Orbitrap 14V, positive-QTOF	splash10-0a4i-0100190000-922e5f751812c8bd89bc	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Adenosine triphosphate Orbitrap 20V, positive-QTOF	splash10-000i-0901420000-44d898eb6218dc6e081f	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Adenosine triphosphate Orbitrap 30V, positive-QTOF	splash10-000i-0900100000-b93a7d45ee103ceb59b6	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Adenosine triphosphate Orbitrap 40V, positive-QTOF	splash10-000i-0900000000-296ded2a98ed98f22450	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Adenosine triphosphate Orbitrap 50V, positive-QTOF	splash10-000i-0900000000-9349def51790b33b6323	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Adenosine triphosphate Orbitrap 66V, positive-QTOF	splash10-000i-1900000000-049985fb880827a0d9a4	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Adenosine triphosphate Orbitrap 82V, positive-QTOF	splash10-000i-1900000000-1d79fc72baa703a816cf	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Adenosine triphosphate Orbitrap 97V, positive-QTOF	splash10-000i-2900000000-136ea397740616434de7	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Adenosine triphosphate Orbitrap 112V, positive-QTOF	splash10-014r-4900000000-e53bae9d9851c94179c8	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Adenosine triphosphate Orbitrap 133V, positive-QTOF	splash10-014i-9700000000-76dacfdda05972956c70	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Adenosine triphosphate Orbitrap 154V, positive-QTOF	splash10-014i-9200000000-4ca00afb7e2831eedaa2	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Adenosine triphosphate Orbitrap 184V, positive-QTOF	splash10-014i-9000000000-7208de8d2446aa0799e2	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Adenosine triphosphate n/a 35V, positive-QTOF	splash10-03di-0002900000-39bf04fe36582d191561	2020-07-22	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Adenosine triphosphate 10V, Positive-QTOF	splash10-000i-0911310000-f883981fb555288ec858	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Adenosine triphosphate 20V, Positive-QTOF	splash10-000i-0900000000-8ed3fe63c389ec26b73f	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Adenosine triphosphate 40V, Positive-QTOF	splash10-000i-1900000000-96bc47060403ae952c30	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Adenosine triphosphate 10V, Negative-QTOF	splash10-0a59-0830290000-0774525fed54afda165a	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Adenosine triphosphate 20V, Negative-QTOF	splash10-001i-3930000000-a285e09b97437217cb03	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Adenosine triphosphate 40V, Negative-QTOF	splash10-004i-9300000000-7648d24e56aa73a5feb0	2016-09-12	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Experimental 1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, experimental)	2012-12-04	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Experimental 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, experimental)	2021-10-10	Wishart Lab	View Spectrum
Experimental 2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)	2012-12-05	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular
Mitochondria
Nucleus
Endoplasmic reticulum
Peroxisome

Biospecimen Locations

Blood
Cellular Cytoplasm
Cerebrospinal Fluid (CSF)
Saliva

Tissue Locations

Adipose Tissue
Bladder
Fibroblasts
Intestine
Kidney
Neuron
Pancreas
Platelet
Skeletal Muscle

Pathways

Name	SMPDB/PathBank	KEGG
Citric Acid Cycle
Gluconeogenesis
Transcription/Translation	SMP00019	Not Available
Purine metabolism	Not Available
Urea Cycle

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	1077.0 +/- 210.0 uM	Newborn (0-30 days old)	Both	Normal	Geigy Scientific ...	details
Blood	Detected and Quantified	1552.0 +/- 161.0 uM	Adult (>18 years old)	Male	Normal	Geigy Scientific ...	details
Blood	Detected and Quantified	1390.0 +/- 170.0 uM	Adult (>18 years old)	Both	Normal	Geigy Scientific ...	details
Blood	Detected and Quantified	3152.0 +/- 1698.0 uM	Adult (>18 years old)	Both	Normal	7877593	details
Cellular Cytoplasm	Detected and Quantified	1540 (1290-1790) uM	Adult (>18 years old)	Both	Normal	15882454	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	1.85 +/- 0.03 uM	Adult (>18 years old)	Both	Normal	15993662	details
Saliva	Detected and Quantified	0.47 +/- 0.36 uM	Adult (>18 years old)	Both	Normal	Zerihun T. Dame, ...	details
Saliva	Detected and Quantified	0.52 +/- 0.15 uM	Adult (>18 years old)	Both	Normal	11310987	details
Saliva	Detected and Quantified	0.47 +/- 0.15 uM	Adult (>18 years old)	Both	Normal	11310987	details
Saliva	Detected and Quantified	0.46 +/- 0.15 uM	Adult (>18 years old)	Both	Normal	11310987	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Cerebrospinal Fluid (CSF)	Detected and Quantified	0.23 +/- 0.19 uM	Adult (>18 years old)	Both	Rachialgia	15993662	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	0.80 +/- 0.63 uM	Adult (>18 years old)	Both	Subarachnoid hemorrhage	15993662	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	1.08 +/- 0.77 uM	Adult (>18 years old)	Both	Epilepsy	15993662	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	0.26 +/- 0.11 uM	Adult (>18 years old)	Both	Stroke	15993662	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	1.09 +/- 0.76 uM	Adult (>18 years old)	Both	Neuroinfection	15993662	details

Associated Disorders and Diseases

Disease References

Rachialgia
Czarnecka J, Cieslak M, Michal K: Application of solid phase extraction and high-performance liquid chromatography to qualitative and quantitative analysis of nucleotides and nucleosides in human cerebrospinal fluid. J Chromatogr B Analyt Technol Biomed Life Sci. 2005 Aug 5;822(1-2):85-90. [PubMed:15993662 ]
Subarachnoid hemorrhage
Czarnecka J, Cieslak M, Michal K: Application of solid phase extraction and high-performance liquid chromatography to qualitative and quantitative analysis of nucleotides and nucleosides in human cerebrospinal fluid. J Chromatogr B Analyt Technol Biomed Life Sci. 2005 Aug 5;822(1-2):85-90. [PubMed:15993662 ]
Epilepsy
Czarnecka J, Cieslak M, Michal K: Application of solid phase extraction and high-performance liquid chromatography to qualitative and quantitative analysis of nucleotides and nucleosides in human cerebrospinal fluid. J Chromatogr B Analyt Technol Biomed Life Sci. 2005 Aug 5;822(1-2):85-90. [PubMed:15993662 ]
Stroke
Czarnecka J, Cieslak M, Michal K: Application of solid phase extraction and high-performance liquid chromatography to qualitative and quantitative analysis of nucleotides and nucleosides in human cerebrospinal fluid. J Chromatogr B Analyt Technol Biomed Life Sci. 2005 Aug 5;822(1-2):85-90. [PubMed:15993662 ]
Neuroinfection
Czarnecka J, Cieslak M, Michal K: Application of solid phase extraction and high-performance liquid chromatography to qualitative and quantitative analysis of nucleotides and nucleosides in human cerebrospinal fluid. J Chromatogr B Analyt Technol Biomed Life Sci. 2005 Aug 5;822(1-2):85-90. [PubMed:15993662 ]

Associated OMIM IDs

105800 (Subarachnoid hemorrhage)
601367 (Stroke)

External Links

DrugBank ID

DB00171

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

Adenosine_triphosphate

METLIN ID

5523

PubChem Compound

5957

PDB ID

Not Available

ChEBI ID

15422

Food Biomarker Ontology

Not Available

VMH ID

ATP

MarkerDB ID

MDB00000185

Good Scents ID

Not Available

References

Synthesis Reference

Clark, V. M.; Kirby, G. W.; Todd, Alexander. Phosphorylation. XV. Use of phosphoramidic esters in acylation-new preparation of adenosine 5'-pyrophosphate and adenosine 5'-triphosphate. Journal of the Chemical Society (1957), 1497-1501.

Material Safety Data Sheet (MSDS)

Not Available

General References

Nakayama Y, Kinoshita A, Tomita M: Dynamic simulation of red blood cell metabolism and its application to the analysis of a pathological condition. Theor Biol Med Model. 2005 May 9;2:18. [PubMed:15882454 ]
Gottlieb C, Svanborg K, Eneroth P, Bygdeman M: Effect of prostaglandins on human sperm function in vitro and seminal adenosine triphosphate content. Fertil Steril. 1988 Feb;49(2):322-7. [PubMed:3338588 ]
Mahmoud AM, Comhaire FH, Vermeulen L, Andreou E: Comparison of the resazurin test, adenosine triphosphate in semen, and various sperm parameters. Hum Reprod. 1994 Sep;9(9):1688-93. [PubMed:7836519 ]
Kadmon M, Klunemann C, Bohme M, Ishikawa T, Gorgas K, Otto G, Herfarth C, Keppler D: Inhibition by cyclosporin A of adenosine triphosphate-dependent transport from the hepatocyte into bile. Gastroenterology. 1993 May;104(5):1507-14. [PubMed:7683296 ]
Sun Y, MaLossi J, Jacobs SC, Chai TC: Effect of doxazosin on stretch-activated adenosine triphosphate release in bladder urothelial cells from patients with benign prostatic hyperplasia. Urology. 2002 Aug;60(2):351-6. [PubMed:12137852 ]
Ryan LM, Rachow JW, McCarty BA, McCarty DJ: Adenosine triphosphate levels in human plasma. J Rheumatol. 1996 Feb;23(2):214-9. [PubMed:8882021 ]
Yoshida M, Miyamae K, Iwashita H, Otani M, Inadome A: Management of detrusor dysfunction in the elderly: changes in acetylcholine and adenosine triphosphate release during aging. Urology. 2004 Mar;63(3 Suppl 1):17-23. [PubMed:15013648 ]
Bar-Meir M, Elpeleg ON, Saada A: Effect of various agents on adenosine triphosphate synthesis in mitochondrial complex I deficiency. J Pediatr. 2001 Dec;139(6):868-70. [PubMed:11743516 ]
Mannucci L, Pastore A, Rizzo C, Piemonte F, Rizzoni G, Emma F: Impaired activity of the gamma-glutamyl cycle in nephropathic cystinosis fibroblasts. Pediatr Res. 2006 Feb;59(2):332-5. [PubMed:16439602 ]
Livingston JH, Brown JK, Harkness RA, McCreanor GM: Cerebrospinal fluid nucleotide metabolites following non-convulsive status epilepticus. Dev Med Child Neurol. 1989 Apr;31(2):168-73. [PubMed:2737369 ]
Rutkowski B, Swierczynski J, Slominska E, Szolkiewicz M, Smolenski RT, Marlewski M, Butto B, Rutkowski P: Disturbances of purine nucleotide metabolism in uremia. Semin Nephrol. 2004 Sep;24(5):479-83. [PubMed:15490415 ]
Holzer AM, Granstein RD: Role of extracellular adenosine triphosphate in human skin. J Cutan Med Surg. 2004 Mar-Apr;8(2):90-6. Epub 2004 May 3. [PubMed:15129319 ]
Myburgh KH: Can any metabolites partially alleviate fatigue manifestations at the cross-bridge? Med Sci Sports Exerc. 2004 Jan;36(1):20-7. [PubMed:14707763 ]
Gartland A, Buckley KA, Hipskind RA, Bowler WB, Gallagher JA: P2 receptors in bone--modulation of osteoclast formation and activity via P2X7 activation. Crit Rev Eukaryot Gene Expr. 2003;13(2-4):237-42. [PubMed:14696970 ]
Di Virgilio F, Chiozzi P, Ferrari D, Falzoni S, Sanz JM, Morelli A, Torboli M, Bolognesi G, Baricordi OR: Nucleotide receptors: an emerging family of regulatory molecules in blood cells. Blood. 2001 Feb 1;97(3):587-600. [PubMed:11157473 ]
Brunk E, Sahoo S, Zielinski DC, Altunkaya A, Drager A, Mih N, Gatto F, Nilsson A, Preciat Gonzalez GA, Aurich MK, Prlic A, Sastry A, Danielsdottir AD, Heinken A, Noronha A, Rose PW, Burley SK, Fleming RMT, Nielsen J, Thiele I, Palsson BO: Recon3D enables a three-dimensional view of gene variation in human metabolism. Nat Biotechnol. 2018 Mar;36(3):272-281. doi: 10.1038/nbt.4072. Epub 2018 Feb 19. [PubMed:29457794 ]

Only showing the first 10 proteins. There are 1040 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details

1. UMP-CMP kinase

General function:: Involved in ATP binding
Specific function:: Catalyzes specific phosphoryl transfer from ATP to UMP and CMP.
Gene Name:: CMPK1
Uniprot ID:: P30085
Molecular weight:: 20180.12

Reactions

Adenosine triphosphate + (d)CMP → ADP + (d)CDP	details
Adenosine triphosphate + Uridine 5'-monophosphate → ADP + Uridine 5'-diphosphate	details
Adenosine triphosphate + Cytidine monophosphate → ADP + CDP	details
Adenosine triphosphate + dCMP → ADP + dCDP	details

Enzyme Details

2. Deoxycytidine kinase

General function:: Involved in ATP binding
Specific function:: Required for the phosphorylation of the deoxyribonucleosides deoxycytidine (dC), deoxyguanosine (dG) and deoxyadenosine (dA). Has broad substrate specificity, and does not display selectivity based on the chirality of the substrate. It is also an essential enzyme for the phosphorylation of numerous nucleoside analogs widely employed as antiviral and chemotherapeutic agents.
Gene Name:: DCK
Uniprot ID:: P27707
Molecular weight:: 30518.315

Reactions

Adenosine triphosphate + Adenosine → ADP + Adenosine monophosphate	details
Adenosine triphosphate + Deoxycytidine → ADP + dCMP	details

Enzyme Details

3. ATP-citrate synthase

General function:: Involved in ATP citrate synthase activity
Specific function:: ATP citrate-lyase is the primary enzyme responsible for the synthesis of cytosolic acetyl-CoA in many tissues. Has a central role in de novo lipid synthesis. In nervous tissue it may be involved in the biosynthesis of acetylcholine.
Gene Name:: ACLY
Uniprot ID:: P53396
Molecular weight:: 120838.27

Reactions

ADP + Phosphate + Acetyl-CoA + Oxalacetic acid → Adenosine triphosphate + Citric acid + Coenzyme A	details
Adenosine triphosphate + Citric acid + Coenzyme A → ADP + Phosphate + Acetyl-CoA + Oxalacetic acid	details

Enzyme Details

4. Acetyl-CoA carboxylase 2

General function:: Involved in acetyl-CoA carboxylase activity
Specific function:: ACC-beta may be involved in the provision of malonyl-CoA or in the regulation of fatty acid oxidation, rather than fatty acid biosynthesis. Carries out three functions: biotin carboxyl carrier protein, biotin carboxylase and carboxyltransferase.
Gene Name:: ACACB
Uniprot ID:: O00763
Molecular weight:: 276538.575

Reactions

Adenosine triphosphate + Acetyl-CoA + Hydrogen carbonate → ADP + Phosphate + Malonyl-CoA	details
Adenosine triphosphate + biotin-[carboxyl-carrier-protein] + CO(2) → ADP + Phosphate + carboxy-biotin-[carboxyl-carrier-protein]	details
Adenosine triphosphate + Holo-[carboxylase] + Hydrogen carbonate → ADP + Phosphate + Carboxybiotin-carboxyl-carrier protein	details

Enzyme Details

5. Pyruvate carboxylase, mitochondrial

General function:: Involved in catalytic activity
Specific function:: Pyruvate carboxylase catalyzes a 2-step reaction, involving the ATP-dependent carboxylation of the covalently attached biotin in the first step and the transfer of the carboxyl group to pyruvate in the second. Catalyzes in a tissue specific manner, the initial reactions of glucose (liver, kidney) and lipid (adipose tissue, liver, brain) synthesis from pyruvate.
Gene Name:: PC
Uniprot ID:: P11498
Molecular weight:: 129632.565

Reactions

Adenosine triphosphate + Pyruvic acid + Hydrogen carbonate → ADP + Phosphate + Oxalacetic acid	details

Enzyme Details

6. Acetyl-coenzyme A synthetase, cytoplasmic

General function:: Involved in acetate-CoA ligase activity
Specific function:: Activates acetate so that it can be used for lipid synthesis or for energy generation.
Gene Name:: ACSS2
Uniprot ID:: Q9NR19
Molecular weight:: 78579.11

Reactions

Adenosine triphosphate + Acetic acid + Coenzyme A → Adenosine monophosphate + Pyrophosphate + Acetyl-CoA	details
Adenosine triphosphate + Acetic acid → Pyrophosphate + Acetyl adenylate	details
Adenosine triphosphate + Propionic acid → Pyrophosphate + Propinol adenylate	details

Enzyme Details

7. 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

Reactions

Adenosine triphosphate + Acetic acid + Coenzyme A → Adenosine monophosphate + Pyrophosphate + Acetyl-CoA	details
Adenosine triphosphate + Acetic acid → Pyrophosphate + Acetyl adenylate	details
Adenosine triphosphate + Propionic acid → Pyrophosphate + Propinol adenylate	details

Enzyme Details

8. Acetyl-CoA carboxylase 1

General function:: Involved in acetyl-CoA carboxylase activity
Specific function:: Catalyzes the rate-limiting reaction in the biogenesis of long-chain fatty acids. Carries out three functions: biotin carboxyl carrier protein, biotin carboxylase and carboxyltransferase.
Gene Name:: ACACA
Uniprot ID:: Q13085
Molecular weight:: 269997.01

Reactions

Adenosine triphosphate + Acetyl-CoA + Hydrogen carbonate → ADP + Phosphate + Malonyl-CoA	details
Adenosine triphosphate + biotin-[carboxyl-carrier-protein] + CO(2) → ADP + Phosphate + carboxy-biotin-[carboxyl-carrier-protein]	details
Adenosine triphosphate + Holo-[carboxylase] + Hydrogen carbonate → ADP + Phosphate + Carboxybiotin-carboxyl-carrier protein	details

Enzyme Details

9. Thymidylate kinase

General function:: Involved in thymidylate kinase activity
Specific function:: Catalyzes the conversion of dTMP to dTDP.
Gene Name:: DTYMK
Uniprot ID:: P23919
Molecular weight:: 23819.105

Reactions

Adenosine triphosphate + 5-Thymidylic acid → ADP + dTDP	details
Adenosine triphosphate + dUMP → ADP + dUDP	details

Enzyme Details

10. Ectonucleoside triphosphate diphosphohydrolase 1

General function:: Involved in hydrolase activity
Specific function:: In the nervous system, could hydrolyze ATP and other nucleotides to regulate purinergic neurotransmission. Could also be implicated in the prevention of platelet aggregation by hydrolyzing platelet-activating ADP to AMP. Hydrolyzes ATP and ADP equally well.
Gene Name:: ENTPD1
Uniprot ID:: P49961
Molecular weight:: 58706.0

Reactions

Adenosine triphosphate + Water → Adenosine monophosphate + Phosphate	details
Adenosine triphosphate + Water → ADP + Phosphate	details

Transporters

Enzyme Details

1. Copper-transporting ATPase 2

General function:: Involved in ATP binding
Specific function:: Involved in the export of copper out of the cells, such as the efflux of hepatic copper into the bile.
Gene Name:: ATP7B
Uniprot ID:: P35670
Molecular weight:: 157261.34

Enzyme Details

2. Copper-transporting ATPase 1

General function:: Involved in ATP binding
Specific function:: May supply copper to copper-requiring proteins within the secretory pathway, when localized in the trans-Golgi network. Under conditions of elevated extracellular copper, it relocalized to the plasma membrane where it functions in the efflux of copper from cells.
Gene Name:: ATP7A
Uniprot ID:: Q04656
Molecular weight:: 163372.275

Enzyme Details

3. Antigen peptide transporter 1

General function:: Involved in ATP binding
Specific function:: Involved in the transport of antigens from the cytoplasm to the endoplasmic reticulum for association with MHC class I molecules. Also acts as a molecular scaffold for the final stage of MHC class I folding, namely the binding of peptide. Nascent MHC class I molecules associate with TAP via tapasin. Inhibited by the covalent attachment of herpes simplex virus ICP47 protein, which blocks the peptide-binding site of TAP. Inhibited by human cytomegalovirus US6 glycoprotein, which binds to the lumenal side of the TAP complex and inhibits peptide translocation by specifically blocking ATP-binding to TAP1 and prevents the conformational rearrangement of TAP induced by peptide binding. Inhibited by human adenovirus E3-19K glycoprotein, which binds the TAP complex and acts as a tapasin inhibitor, preventing MHC class I/TAP association. Expression of TAP1 is down-regulated by human Epstein-Barr virus vIL-10 protein, thereby affecting the transport of peptides into the endoplasmic reticulum and subsequent peptide loading by MHC class I molecules
Gene Name:: TAP1
Uniprot ID:: Q03518
Molecular weight:: 87216.9

Only showing the first 10 proteins. There are 1040 proteins in total.

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Showing metabocard for Adenosine triphosphate (HMDB0000538)

MOL for HMDB0000538 (Adenosine triphosphate)

3D MOL for HMDB0000538 (Adenosine triphosphate)

3D SDF for HMDB0000538 (Adenosine triphosphate)

3D-SDF for HMDB0000538 (Adenosine triphosphate)

PDB for HMDB0000538 (Adenosine triphosphate)

3D PDB for HMDB0000538 (Adenosine triphosphate)

SMILES for HMDB0000538 (Adenosine triphosphate)

INCHI for HMDB0000538 (Adenosine triphosphate)

Structure for HMDB0000538 (Adenosine triphosphate)

3D Structure for HMDB0000538 (Adenosine triphosphate)

Experimental Collision Cross Sections

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

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Transporters