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Showing metabocard for ADP (HMDB0001341)

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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2022-01-20 23:33:48 UTC
HMDB IDHMDB0001341
Secondary Accession Numbers
  • HMDB01341
Metabolite Identification
Common NameADP
DescriptionAdenosine diphosphate (ADP), also known as adenosine pyrophosphate (APP), is an important organic compound in metabolism and is essential to the flow of energy in living cells. ADP consists of three important structural components: a sugar backbone attached to adenine and two phosphate groups bonded to the 5 carbon atom of ribose. The diphosphate group of ADP is attached to the 5’ carbon of the sugar backbone, while the adenine attaches to the 1’ carbon. ADP belongs to the class of organic compounds known as purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety. It is an ester of pyrophosphoric acid with the nucleotide adenine. Adenosine diphosphate is a nucleotide. ADP exists in all living species, ranging from bacteria to humans. In humans, ADP is involved in d4-gdi signaling pathway. ADP is the product of ATP dephosphorylation by ATPases. ADP is converted back to ATP by ATP synthases. ADP consists of the pyrophosphate group, the pentose sugar ribose, and the nucleobase adenine.
Structure
Data?1600194399
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0001341 (ADP)


  Mrv1652308122017232D          

 27 29  0  0  0  0            999 V2000
 9998.7501 9998.0568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.5401 9998.0485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.0475 9999.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.7612 9999.4959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.4749 9999.9095    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10003.1989 9999.5102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.064410000.6244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.889510000.6244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.9126 9999.9217    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10003.500110000.6368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.6263 9999.5102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.325110000.6368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6616 9999.9901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.2491 9998.7205    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.0741 9998.7205    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10000.3290 9999.5051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9996.167810000.0198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.9129 9999.2352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9996.4650 9998.6220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.2719 9998.7935    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9997.5269 9999.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.974810000.1913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2805 9999.9136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9998.194410000.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.387410000.9057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9995.615710000.6328    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9949 9999.5010    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 13 16  1  0  0  0  0
 14  1  1  1  0  0  0
 15  2  1  1  0  0  0
 16  3  1  6  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 24 25  2  0  0  0  0
 22 25  1  0  0  0  0
 23 24  1  0  0  0  0
 21 23  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 17 26  1  0  0  0  0
 27 23  1  6  0  0  0
 27 14  1  0  0  0  0
 13 27  1  0  0  0  0
M  END
Download

3D MOL for HMDB0001341 (ADP)

HMDB0001341
     RDKit          3D
ADP
 42 44  0  0  0  0  0  0  0  0999 V2000
   -5.6045   -2.0955   -2.2369 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8347   -1.7052   -1.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9141   -2.3484    0.0572 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1620   -1.9436    1.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3161   -0.9019    1.0067 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1866   -0.2159   -0.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9648   -0.6368   -1.2076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6530    0.2036   -2.2205 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7287    1.0859   -1.7691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4345    0.8398   -0.4946 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5135    1.5447    0.3290 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2175    1.4692   -0.1323 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6382    1.7928    0.8896 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7706    0.7869    0.9966 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5014    0.7604   -0.1996 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7524   -0.3670   -0.0484 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.4699   -1.3635    1.0520 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1937    0.4625    0.3102 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9728   -1.2103   -1.4828 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5068   -1.8749   -1.6140 P   0  0  0  0  0  5  0  0  0  0  0  0
    6.0278   -2.3997   -0.3026 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4203   -3.1548   -2.7309 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5436   -0.6749   -2.2457 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1454    1.6953    2.1888 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6193    2.9556    2.5776 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3817    0.9242    1.7058 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4674    1.1428    2.5118 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6245   -1.9472   -2.2323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1474   -2.5279   -3.0539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2737   -2.5092    2.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2976    1.8799   -2.3795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7546    2.6150    0.4765 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1119    2.7893    0.7750 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4887    1.0993    1.7819 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3870   -0.2115    1.2738 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1990    1.3727   -0.0700 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2694   -3.1557   -3.2688 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8825   -0.0817   -1.5091 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3871    1.1718    2.9799 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0979    3.6005    2.7478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1275   -0.1466    1.5551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2516    1.2799    3.4618 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
 13 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
  7  2  1  0
 26 11  1  0
 10  6  1  0
  1 28  1  0
  1 29  1  0
  4 30  1  0
  9 31  1  0
 11 32  1  1
 13 33  1  6
 14 34  1  0
 14 35  1  0
 18 36  1  0
 22 37  1  0
 23 38  1  0
 24 39  1  1
 25 40  1  0
 26 41  1  6
 27 42  1  0
M  END
Download

3D SDF for HMDB0001341 (ADP)


  Mrv1652308122017232D          

 27 29  0  0  0  0            999 V2000
 9998.7501 9998.0568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.5401 9998.0485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.0475 9999.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.7612 9999.4959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.4749 9999.9095    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10003.1989 9999.5102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.064410000.6244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.889510000.6244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.9126 9999.9217    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10003.500110000.6368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.6263 9999.5102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.325110000.6368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6616 9999.9901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.2491 9998.7205    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.0741 9998.7205    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10000.3290 9999.5051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9996.167810000.0198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.9129 9999.2352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9996.4650 9998.6220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.2719 9998.7935    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9997.5269 9999.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.974810000.1913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2805 9999.9136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9998.194410000.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.387410000.9057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9995.615710000.6328    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9949 9999.5010    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 13 16  1  0  0  0  0
 14  1  1  1  0  0  0
 15  2  1  1  0  0  0
 16  3  1  6  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 24 25  2  0  0  0  0
 22 25  1  0  0  0  0
 23 24  1  0  0  0  0
 21 23  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 17 26  1  0  0  0  0
 27 23  1  6  0  0  0
 27 14  1  0  0  0  0
 13 27  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0001341

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

> <INCHI_KEY>
XTWYTFMLZFPYCI-KQYNXXCUSA-N

> <FORMULA>
C10H15N5O10P2

> <MOLECULAR_WEIGHT>
427.2011

> <EXACT_MASS>
427.029414749

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
34.23829042406093

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <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]phosphonic acid

> <ALOGPS_LOGP>
-1.65

> <JCHEM_LOGP>
-4.711847208485645

> <ALOGPS_LOGS>
-2.12

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.1362480842882006

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.768740258002925

> <JCHEM_PKA_STRONGEST_BASIC>
3.998359170782524

> <JCHEM_POLAR_SURFACE_AREA>
232.59999999999994

> <JCHEM_REFRACTIVITY>
84.94139999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.27e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
adenosine-diphosphate

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0001341 (ADP)

HMDB0001341
     RDKit          3D
ADP
 42 44  0  0  0  0  0  0  0  0999 V2000
   -5.6045   -2.0955   -2.2369 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8347   -1.7052   -1.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9141   -2.3484    0.0572 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1620   -1.9436    1.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3161   -0.9019    1.0067 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1866   -0.2159   -0.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9648   -0.6368   -1.2076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6530    0.2036   -2.2205 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7287    1.0859   -1.7691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4345    0.8398   -0.4946 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5135    1.5447    0.3290 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2175    1.4692   -0.1323 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6382    1.7928    0.8896 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7706    0.7869    0.9966 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5014    0.7604   -0.1996 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7524   -0.3670   -0.0484 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.4699   -1.3635    1.0520 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1937    0.4625    0.3102 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9728   -1.2103   -1.4828 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5068   -1.8749   -1.6140 P   0  0  0  0  0  5  0  0  0  0  0  0
    6.0278   -2.3997   -0.3026 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4203   -3.1548   -2.7309 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5436   -0.6749   -2.2457 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1454    1.6953    2.1888 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6193    2.9556    2.5776 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3817    0.9242    1.7058 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4674    1.1428    2.5118 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6245   -1.9472   -2.2323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1474   -2.5279   -3.0539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2737   -2.5092    2.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2976    1.8799   -2.3795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7546    2.6150    0.4765 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1119    2.7893    0.7750 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4887    1.0993    1.7819 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3870   -0.2115    1.2738 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1990    1.3727   -0.0700 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2694   -3.1557   -3.2688 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8825   -0.0817   -1.5091 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3871    1.1718    2.9799 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0979    3.6005    2.7478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1275   -0.1466    1.5551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2516    1.2799    3.4618 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
 13 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
  7  2  1  0
 26 11  1  0
 10  6  1  0
  1 28  1  0
  1 29  1  0
  4 30  1  0
  9 31  1  0
 11 32  1  1
 13 33  1  6
 14 34  1  0
 14 35  1  0
 18 36  1  0
 22 37  1  0
 23 38  1  0
 24 39  1  1
 25 40  1  0
 26 41  1  6
 27 42  1  0
M  END
Download

PDB for HMDB0001341 (ADP)

HEADER    PROTEIN                                 12-AUG-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-AUG-20         0                                  
HETATM    1  O   UNK     0    8664.3348663.039   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0    8667.6758663.024   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0    8668.6228666.498   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0    8669.9548665.726   0.000  0.00  0.00           O+0
HETATM    5  P   UNK     0    8671.2868666.498   0.000  0.00  0.00           P+0
HETATM    6  O   UNK     0    8672.6388665.752   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0    8670.5208667.832   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0    8672.0608667.832   0.000  0.00  0.00           O+0
HETATM    9  P   UNK     0    8673.9708666.521   0.000  0.00  0.00           P+0
HETATM   10  O   UNK     0    8673.2008667.855   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0    8675.3028665.752   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0    8674.7408667.855   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0    8666.0358666.648   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0    8665.2658664.278   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8666.8058664.278   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8667.2818665.743   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8659.5138666.704   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0    8659.0378665.239   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0    8660.0688664.094   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0    8661.5748664.415   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0    8662.0508665.879   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8661.0208667.024   0.000  0.00  0.00           C+0
HETATM   23  N   UNK     0    8663.4578666.505   0.000  0.00  0.00           N+0
HETATM   24  C   UNK     0    8663.2968668.037   0.000  0.00  0.00           C+0
HETATM   25  N   UNK     0    8661.7908668.357   0.000  0.00  0.00           N+0
HETATM   26  N   UNK     0    8658.4838667.848   0.000  0.00  0.00           N+0
HETATM   27  C   UNK     0    8664.7908665.735   0.000  0.00  0.00           C+0
CONECT    1   14                                                            
CONECT    2   15                                                            
CONECT    3    4   16                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    7    8                                             
CONECT    6    5    9                                                       
CONECT    7    5                                                            
CONECT    8    5                                                            
CONECT    9    6   10   11   12                                             
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12    9                                                            
CONECT   13   16   27                                                       
CONECT   14   15    1   27                                                  
CONECT   15   14   16    2                                                  
CONECT   16   15   13    3                                                  
CONECT   17   22   18   26                                                  
CONECT   18   17   19                                                       
CONECT   19   20   18                                                       
CONECT   20   19   21                                                       
CONECT   21   22   23   20                                                  
CONECT   22   21   17   25                                                  
CONECT   23   24   21   27                                                  
CONECT   24   25   23                                                       
CONECT   25   24   22                                                       
CONECT   26   17                                                            
CONECT   27   23   14   13                                                  
MASTER        0    0    0    0    0    0    0    0   27    0   58    0
END
Download

3D PDB for HMDB0001341 (ADP)

COMPND    HMDB0001341
HETATM    1  N1  UNL     1      -5.605  -2.096  -2.237  1.00  0.00           N  
HETATM    2  C1  UNL     1      -4.835  -1.705  -1.122  1.00  0.00           C  
HETATM    3  N2  UNL     1      -4.914  -2.348   0.057  1.00  0.00           N  
HETATM    4  C2  UNL     1      -4.162  -1.944   1.097  1.00  0.00           C  
HETATM    5  N3  UNL     1      -3.316  -0.902   1.007  1.00  0.00           N  
HETATM    6  C3  UNL     1      -3.187  -0.216  -0.137  1.00  0.00           C  
HETATM    7  C4  UNL     1      -3.965  -0.637  -1.208  1.00  0.00           C  
HETATM    8  N4  UNL     1      -3.653   0.204  -2.221  1.00  0.00           N  
HETATM    9  C5  UNL     1      -2.729   1.086  -1.769  1.00  0.00           C  
HETATM   10  N5  UNL     1      -2.434   0.840  -0.495  1.00  0.00           N  
HETATM   11  C6  UNL     1      -1.514   1.545   0.329  1.00  0.00           C  
HETATM   12  O1  UNL     1      -0.217   1.469  -0.132  1.00  0.00           O  
HETATM   13  C7  UNL     1       0.638   1.793   0.890  1.00  0.00           C  
HETATM   14  C8  UNL     1       1.771   0.787   0.997  1.00  0.00           C  
HETATM   15  O2  UNL     1       2.501   0.760  -0.200  1.00  0.00           O  
HETATM   16  P1  UNL     1       3.752  -0.367  -0.048  1.00  0.00           P  
HETATM   17  O3  UNL     1       3.470  -1.363   1.052  1.00  0.00           O  
HETATM   18  O4  UNL     1       5.194   0.463   0.310  1.00  0.00           O  
HETATM   19  O5  UNL     1       3.973  -1.210  -1.483  1.00  0.00           O  
HETATM   20  P2  UNL     1       5.507  -1.875  -1.614  1.00  0.00           P  
HETATM   21  O6  UNL     1       6.028  -2.400  -0.303  1.00  0.00           O  
HETATM   22  O7  UNL     1       5.420  -3.155  -2.731  1.00  0.00           O  
HETATM   23  O8  UNL     1       6.544  -0.675  -2.246  1.00  0.00           O  
HETATM   24  C9  UNL     1      -0.145   1.695   2.189  1.00  0.00           C  
HETATM   25  O9  UNL     1      -0.619   2.956   2.578  1.00  0.00           O  
HETATM   26  C10 UNL     1      -1.382   0.924   1.706  1.00  0.00           C  
HETATM   27  O10 UNL     1      -2.467   1.143   2.512  1.00  0.00           O  
HETATM   28  H1  UNL     1      -6.624  -1.947  -2.232  1.00  0.00           H  
HETATM   29  H2  UNL     1      -5.147  -2.528  -3.054  1.00  0.00           H  
HETATM   30  H3  UNL     1      -4.274  -2.509   2.027  1.00  0.00           H  
HETATM   31  H4  UNL     1      -2.298   1.880  -2.379  1.00  0.00           H  
HETATM   32  H5  UNL     1      -1.755   2.615   0.476  1.00  0.00           H  
HETATM   33  H6  UNL     1       1.112   2.789   0.775  1.00  0.00           H  
HETATM   34  H7  UNL     1       2.489   1.099   1.782  1.00  0.00           H  
HETATM   35  H8  UNL     1       1.387  -0.212   1.274  1.00  0.00           H  
HETATM   36  H9  UNL     1       5.199   1.373  -0.070  1.00  0.00           H  
HETATM   37  H10 UNL     1       6.269  -3.156  -3.269  1.00  0.00           H  
HETATM   38  H11 UNL     1       6.882  -0.082  -1.509  1.00  0.00           H  
HETATM   39  H12 UNL     1       0.387   1.172   2.980  1.00  0.00           H  
HETATM   40  H13 UNL     1       0.098   3.601   2.748  1.00  0.00           H  
HETATM   41  H14 UNL     1      -1.127  -0.147   1.555  1.00  0.00           H  
HETATM   42  H15 UNL     1      -2.252   1.280   3.462  1.00  0.00           H  
CONECT    1    2   28   29
CONECT    2    3    3    7
CONECT    3    4
CONECT    4    5    5   30
CONECT    5    6
CONECT    6    7    7   10
CONECT    7    8
CONECT    8    9    9
CONECT    9   10   31
CONECT   10   11
CONECT   11   12   26   32
CONECT   12   13
CONECT   13   14   24   33
CONECT   14   15   34   35
CONECT   15   16
CONECT   16   17   17   18   19
CONECT   18   36
CONECT   19   20
CONECT   20   21   21   22   23
CONECT   22   37
CONECT   23   38
CONECT   24   25   26   39
CONECT   25   40
CONECT   26   27   41
CONECT   27   42
END
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SMILES for HMDB0001341 (ADP)

NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
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INCHI for HMDB0001341 (ADP)

InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
5'-Adenylphosphoric acidChEBI
Adenosine 5'-diphosphateChEBI
ADENOSINE-5'-diphosphATEChEBI
H3ADPChEBI
5'-AdenylphosphateGenerator
Adenosine 5'-diphosphoric acidGenerator
ADENOSINE-5'-diphosphoric acidGenerator
AdenosindiphosphorsaeureHMDB
Adenosine 5'-pyrophosphateHMDB
Adenosine diphosphateHMDB
Adenosine pyrophosphateHMDB
Adenosine-5-diphosphateHMDB
Adenosine-diphosphateHMDB
5'-Pyrophosphate, adenosineHMDB
Adenosine 5' pyrophosphateHMDB
Diphosphate, adenosineHMDB
Magnesium ADPHMDB
MgADPHMDB
Pyrophosphate, adenosineHMDB
ADP, MagnesiumHMDB
Adenosine diphosphoric acidHMDB
ADPMeSH
Chemical FormulaC10H15N5O10P2
Average Molecular Weight427.2011
Monoisotopic Molecular Weight427.029414749
IUPAC Name[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
Traditional Nameadenosine-diphosphate
CAS Registry Number58-64-0
SMILES
NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
InChI Identifier
InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChI KeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassPurine nucleotides
Sub ClassPurine ribonucleotides
Direct ParentPurine ribonucleoside diphosphates
Alternative Parents
Substituents
  • Purine ribonucleoside diphosphate
  • Purine ribonucleoside monophosphate
  • Pentose phosphate
  • Pentose-5-phosphate
  • Glycosyl compound
  • N-glycosyl compound
  • 6-aminopurine
  • Monosaccharide phosphate
  • Organic pyrophosphate
  • Pentose monosaccharide
  • Imidazopyrimidine
  • Purine
  • Monoalkyl phosphate
  • Aminopyrimidine
  • Alkyl phosphate
  • Monosaccharide
  • N-substituted imidazole
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Imidolactam
  • Pyrimidine
  • Azole
  • Heteroaromatic compound
  • Imidazole
  • Tetrahydrofuran
  • Secondary alcohol
  • 1,2-diol
  • Azacycle
  • Oxacycle
  • Organoheterocyclic compound
  • Alcohol
  • Organonitrogen compound
  • Organic oxide
  • Organic nitrogen compound
  • Organooxygen compound
  • Organopnictogen compound
  • Organic oxygen compound
  • Primary amine
  • Amine
  • Hydrocarbon derivative
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effect

Adverse health effect

Disposition

Biological location

Source

Process

Naturally occurring process

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M-H]-Astarita_neg180.330932474
[M-H]-Not Available183.8http://allccs.zhulab.cn/database/detail?ID=AllCCS00000167
[M+H]+Not Available187.4http://allccs.zhulab.cn/database/detail?ID=AllCCS00000167
Predicted Molecular Properties
PropertyValueSource
Water Solubility3.27 g/LALOGPS
logP-1.6ALOGPS
logP-4.7ChemAxon
logS-2.1ALOGPS
pKa (Strongest Acidic)1.77ChemAxon
pKa (Strongest Basic)4ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area232.6 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity84.94 m³·mol⁻¹ChemAxon
Polarizability34.24 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+193.20331661259
DarkChem[M-H]-183.65531661259
AllCCS[M+H]+187.8532859911
AllCCS[M-H]-180.34332859911
DeepCCS[M+H]+165.73830932474
DeepCCS[M+H]+154.57630932474
DeepCCS[M-H]-163.19430932474
DeepCCS[M-H]-151.7730932474
DeepCCS[M-2H]-198.06130932474
DeepCCS[M+Na]+173.47330932474
DeepCCS[M-2H]-187.0230932474
DeepCCS[M+Na]+162.94330932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
ADPNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O4380.2Standard polar33892256
ADPNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O2461.5Standard non polar33892256
ADPNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O3741.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
ADP,1TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O3576.9Semi standard non polar33892256
ADP,1TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C213576.4Semi standard non polar33892256
ADP,1TMS,isomer #3C[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)O3625.7Semi standard non polar33892256
ADP,1TMS,isomer #4C[Si](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]1O3621.5Semi standard non polar33892256
ADP,1TMS,isomer #5C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O3630.8Semi standard non polar33892256
ADP,2TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C3462.6Semi standard non polar33892256
ADP,2TMS,isomer #10C[Si](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]1O3540.0Semi standard non polar33892256
ADP,2TMS,isomer #11C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O3562.6Semi standard non polar33892256
ADP,2TMS,isomer #12C[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O)[Si](C)(C)C3561.2Semi standard non polar33892256
ADP,2TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O3500.4Semi standard non polar33892256
ADP,2TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O3481.9Semi standard non polar33892256
ADP,2TMS,isomer #4C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O3509.0Semi standard non polar33892256
ADP,2TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C213494.2Semi standard non polar33892256
ADP,2TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C213479.7Semi standard non polar33892256
ADP,2TMS,isomer #7C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C3501.0Semi standard non polar33892256
ADP,2TMS,isomer #8C[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C3531.0Semi standard non polar33892256
ADP,2TMS,isomer #9C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O3583.4Semi standard non polar33892256
ADP,3TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=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)C3395.7Semi standard non polar33892256
ADP,3TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=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)C3356.2Standard non polar33892256
ADP,3TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=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)C5753.8Standard polar33892256
ADP,3TMS,isomer #10C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C3454.6Semi standard non polar33892256
ADP,3TMS,isomer #10C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C3471.2Standard non polar33892256
ADP,3TMS,isomer #10C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C5579.4Standard polar33892256
ADP,3TMS,isomer #11C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C213422.7Semi standard non polar33892256
ADP,3TMS,isomer #11C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C213387.0Standard non polar33892256
ADP,3TMS,isomer #11C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C215604.8Standard polar33892256
ADP,3TMS,isomer #12C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3449.0Semi standard non polar33892256
ADP,3TMS,isomer #12C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3459.4Standard non polar33892256
ADP,3TMS,isomer #12C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C5606.5Standard polar33892256
ADP,3TMS,isomer #13C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C213428.7Semi standard non polar33892256
ADP,3TMS,isomer #13C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C213499.5Standard non polar33892256
ADP,3TMS,isomer #13C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C215657.3Standard polar33892256
ADP,3TMS,isomer #14C[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)O[Si](C)(C)C3479.8Semi standard non polar33892256
ADP,3TMS,isomer #14C[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)O[Si](C)(C)C3453.3Standard non polar33892256
ADP,3TMS,isomer #14C[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)O[Si](C)(C)C5410.7Standard polar33892256
ADP,3TMS,isomer #15C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O3511.8Semi standard non polar33892256
ADP,3TMS,isomer #15C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O3528.9Standard non polar33892256
ADP,3TMS,isomer #15C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O5378.1Standard polar33892256
ADP,3TMS,isomer #16C[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)O3504.7Semi standard non polar33892256
ADP,3TMS,isomer #16C[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)O3553.4Standard non polar33892256
ADP,3TMS,isomer #16C[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)O5431.5Standard polar33892256
ADP,3TMS,isomer #17C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O3516.9Semi standard non polar33892256
ADP,3TMS,isomer #17C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O3517.5Standard non polar33892256
ADP,3TMS,isomer #17C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O5418.8Standard polar33892256
ADP,3TMS,isomer #18C[Si](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]1O3493.1Semi standard non polar33892256
ADP,3TMS,isomer #18C[Si](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]1O3533.8Standard non polar33892256
ADP,3TMS,isomer #18C[Si](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]1O5473.1Standard polar33892256
ADP,3TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=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)C3390.8Semi standard non polar33892256
ADP,3TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=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)C3342.5Standard non polar33892256
ADP,3TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=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)C5748.3Standard polar33892256
ADP,3TMS,isomer #3C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3409.7Semi standard non polar33892256
ADP,3TMS,isomer #3C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3415.2Standard non polar33892256
ADP,3TMS,isomer #3C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C5809.8Standard polar33892256
ADP,3TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=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]1O3427.0Semi standard non polar33892256
ADP,3TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=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]1O3392.2Standard non polar33892256
ADP,3TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=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]1O5537.0Standard polar33892256
ADP,3TMS,isomer #5C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O3460.2Semi standard non polar33892256
ADP,3TMS,isomer #5C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O3464.2Standard non polar33892256
ADP,3TMS,isomer #5C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O5556.7Standard polar33892256
ADP,3TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](COP(=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]1O3432.8Semi standard non polar33892256
ADP,3TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](COP(=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]1O3377.7Standard non polar33892256
ADP,3TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](COP(=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]1O5588.4Standard polar33892256
ADP,3TMS,isomer #7C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3449.0Semi standard non polar33892256
ADP,3TMS,isomer #7C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3452.1Standard non polar33892256
ADP,3TMS,isomer #7C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O5592.6Standard polar33892256
ADP,3TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](COP(=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]1O3437.1Semi standard non polar33892256
ADP,3TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](COP(=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]1O3490.2Standard non polar33892256
ADP,3TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](COP(=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]1O5642.8Standard polar33892256
ADP,3TMS,isomer #9C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C213415.6Semi standard non polar33892256
ADP,3TMS,isomer #9C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C213401.5Standard non polar33892256
ADP,3TMS,isomer #9C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C215552.0Standard polar33892256
ADP,4TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=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)C3382.8Semi standard non polar33892256
ADP,4TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=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)C3287.3Standard non polar33892256
ADP,4TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=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)C5409.0Standard polar33892256
ADP,4TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@@H](COP(=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]1O3423.7Semi standard non polar33892256
ADP,4TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@@H](COP(=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]1O3447.6Standard non polar33892256
ADP,4TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@@H](COP(=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]1O5172.4Standard polar33892256
ADP,4TMS,isomer #11C[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)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C213407.2Semi standard non polar33892256
ADP,4TMS,isomer #11C[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)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C213318.3Standard non polar33892256
ADP,4TMS,isomer #11C[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)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C215201.6Standard polar33892256
ADP,4TMS,isomer #12C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3446.9Semi standard non polar33892256
ADP,4TMS,isomer #12C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3429.7Standard non polar33892256
ADP,4TMS,isomer #12C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C5138.7Standard polar33892256
ADP,4TMS,isomer #13C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=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=C213428.0Semi standard non polar33892256
ADP,4TMS,isomer #13C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=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=C213473.7Standard non polar33892256
ADP,4TMS,isomer #13C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=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=C215136.5Standard polar33892256
ADP,4TMS,isomer #14C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3449.7Semi standard non polar33892256
ADP,4TMS,isomer #14C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3414.3Standard non polar33892256
ADP,4TMS,isomer #14C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C5156.1Standard polar33892256
ADP,4TMS,isomer #15C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=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=C213420.7Semi standard non polar33892256
ADP,4TMS,isomer #15C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=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=C213457.0Standard non polar33892256
ADP,4TMS,isomer #15C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=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=C215186.6Standard polar33892256
ADP,4TMS,isomer #16C[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)O[Si](C)(C)C)[C@@H](O)[C@H]1O3511.5Semi standard non polar33892256
ADP,4TMS,isomer #16C[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)O[Si](C)(C)C)[C@@H](O)[C@H]1O3463.0Standard non polar33892256
ADP,4TMS,isomer #16C[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)O[Si](C)(C)C)[C@@H](O)[C@H]1O4924.2Standard polar33892256
ADP,4TMS,isomer #17C[Si](C)(C)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)C3476.7Semi standard non polar33892256
ADP,4TMS,isomer #17C[Si](C)(C)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)C3505.0Standard non polar33892256
ADP,4TMS,isomer #17C[Si](C)(C)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)C4962.4Standard polar33892256
ADP,4TMS,isomer #18C[Si](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]1O3481.0Semi standard non polar33892256
ADP,4TMS,isomer #18C[Si](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]1O3501.5Standard non polar33892256
ADP,4TMS,isomer #18C[Si](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]1O4972.6Standard polar33892256
ADP,4TMS,isomer #2C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3408.9Semi standard non polar33892256
ADP,4TMS,isomer #2C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3396.1Standard non polar33892256
ADP,4TMS,isomer #2C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C5329.0Standard polar33892256
ADP,4TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=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)C3379.0Semi standard non polar33892256
ADP,4TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=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)C3273.4Standard non polar33892256
ADP,4TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=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)C5440.9Standard polar33892256
ADP,4TMS,isomer #4C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3404.4Semi standard non polar33892256
ADP,4TMS,isomer #4C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3386.5Standard non polar33892256
ADP,4TMS,isomer #4C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C5375.3Standard polar33892256
ADP,4TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](COP(=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)C3384.7Semi standard non polar33892256
ADP,4TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](COP(=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)C3426.2Standard non polar33892256
ADP,4TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](COP(=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)C5371.3Standard polar33892256
ADP,4TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](COP(=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]1O3415.6Semi standard non polar33892256
ADP,4TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](COP(=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]1O3309.1Standard non polar33892256
ADP,4TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](COP(=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]1O5183.2Standard polar33892256
ADP,4TMS,isomer #7C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3448.1Semi standard non polar33892256
ADP,4TMS,isomer #7C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3421.1Standard non polar33892256
ADP,4TMS,isomer #7C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O5114.5Standard polar33892256
ADP,4TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](COP(=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]1O3433.9Semi standard non polar33892256
ADP,4TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](COP(=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]1O3464.2Standard non polar33892256
ADP,4TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](COP(=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]1O5109.2Standard polar33892256
ADP,4TMS,isomer #9C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3450.5Semi standard non polar33892256
ADP,4TMS,isomer #9C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3406.7Standard non polar33892256
ADP,4TMS,isomer #9C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O5141.9Standard polar33892256
ADP,5TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=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)C3406.2Semi standard non polar33892256
ADP,5TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=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)C3196.6Standard non polar33892256
ADP,5TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=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)C5082.7Standard polar33892256
ADP,5TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=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=C213448.8Semi standard non polar33892256
ADP,5TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=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=C213395.1Standard non polar33892256
ADP,5TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=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=C214698.3Standard polar33892256
ADP,5TMS,isomer #11C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=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=C213450.5Semi standard non polar33892256
ADP,5TMS,isomer #11C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=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=C213388.1Standard non polar33892256
ADP,5TMS,isomer #11C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=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=C214690.6Standard polar33892256
ADP,5TMS,isomer #12C[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)O[Si](C)(C)C3492.5Semi standard non polar33892256
ADP,5TMS,isomer #12C[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)O[Si](C)(C)C3419.4Standard non polar33892256
ADP,5TMS,isomer #12C[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)O[Si](C)(C)C4491.0Standard polar33892256
ADP,5TMS,isomer #2C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=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)C3435.8Semi standard non polar33892256
ADP,5TMS,isomer #2C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=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)C3335.9Standard non polar33892256
ADP,5TMS,isomer #2C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=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)C4908.4Standard polar33892256
ADP,5TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=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)C3413.1Semi standard non polar33892256
ADP,5TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=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)C3368.0Standard non polar33892256
ADP,5TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=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)C4856.2Standard polar33892256
ADP,5TMS,isomer #4C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=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)C3432.7Semi standard non polar33892256
ADP,5TMS,isomer #4C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=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)C3323.5Standard non polar33892256
ADP,5TMS,isomer #4C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=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)C4919.3Standard polar33892256
ADP,5TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](COP(=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)C3408.4Semi standard non polar33892256
ADP,5TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](COP(=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)C3356.0Standard non polar33892256
ADP,5TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](COP(=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)C4928.0Standard polar33892256
ADP,5TMS,isomer #6C[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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3474.2Semi standard non polar33892256
ADP,5TMS,isomer #6C[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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3351.9Standard non polar33892256
ADP,5TMS,isomer #6C[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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O4657.0Standard polar33892256
ADP,5TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](COP(=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]1O3453.4Semi standard non polar33892256
ADP,5TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](COP(=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]1O3388.0Standard non polar33892256
ADP,5TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](COP(=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]1O4669.6Standard polar33892256
ADP,5TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](COP(=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]1O3453.5Semi standard non polar33892256
ADP,5TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](COP(=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]1O3381.5Standard non polar33892256
ADP,5TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](COP(=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]1O4675.0Standard polar33892256
ADP,5TMS,isomer #9C[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)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3477.8Semi standard non polar33892256
ADP,5TMS,isomer #9C[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)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3362.0Standard non polar33892256
ADP,5TMS,isomer #9C[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)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C4685.8Standard polar33892256
ADP,6TMS,isomer #1C[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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3477.9Semi standard non polar33892256
ADP,6TMS,isomer #1C[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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3270.5Standard non polar33892256
ADP,6TMS,isomer #1C[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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4479.9Standard polar33892256
ADP,6TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=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[Si](C)(C)C3469.1Semi standard non polar33892256
ADP,6TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=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[Si](C)(C)C3297.4Standard non polar33892256
ADP,6TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=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[Si](C)(C)C4458.7Standard polar33892256
ADP,6TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=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[Si](C)(C)C3466.6Semi standard non polar33892256
ADP,6TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=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[Si](C)(C)C3288.5Standard non polar33892256
ADP,6TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=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[Si](C)(C)C4454.7Standard polar33892256
ADP,6TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=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([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O3501.6Semi standard non polar33892256
ADP,6TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=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([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O3307.3Standard non polar33892256
ADP,6TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=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([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O4222.9Standard polar33892256
ADP,6TMS,isomer #5C[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)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C213498.5Semi standard non polar33892256
ADP,6TMS,isomer #5C[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)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C213314.6Standard non polar33892256
ADP,6TMS,isomer #5C[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)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C214252.6Standard polar33892256
ADP,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O3815.6Semi standard non polar33892256
ADP,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C213813.2Semi standard non polar33892256
ADP,1TBDMS,isomer #3CC(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)O3849.8Semi standard non polar33892256
ADP,1TBDMS,isomer #4CC(C)(C)[Si](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]1O3841.6Semi standard non polar33892256
ADP,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O3840.6Semi standard non polar33892256
ADP,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=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)C3892.1Semi standard non polar33892256
ADP,2TBDMS,isomer #10CC(C)(C)[Si](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]1O3951.0Semi standard non polar33892256
ADP,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O3942.6Semi standard non polar33892256
ADP,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C3954.0Semi standard non polar33892256
ADP,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=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]1O3934.8Semi standard non polar33892256
ADP,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=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]1O3920.0Semi standard non polar33892256
ADP,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O3895.8Semi standard non polar33892256
ADP,2TBDMS,isomer #5CC(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)O)O[C@H]1N1C=NC2=C(N)N=CN=C213919.0Semi standard non polar33892256
ADP,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C213904.2Semi standard non polar33892256
ADP,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C3891.4Semi standard non polar33892256
ADP,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C3941.2Semi standard non polar33892256
ADP,2TBDMS,isomer #9CC(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)O)[C@@H](O)[C@H]1O3961.2Semi standard non polar33892256
ADP,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=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)C3997.1Semi standard non polar33892256
ADP,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=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)C3816.3Standard non polar33892256
ADP,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=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)C5875.7Standard polar33892256
ADP,3TBDMS,isomer #10CC(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)O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4023.5Semi standard non polar33892256
ADP,3TBDMS,isomer #10CC(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)O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C3959.4Standard non polar33892256
ADP,3TBDMS,isomer #10CC(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)O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C5669.3Standard polar33892256
ADP,3TBDMS,isomer #11CC(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)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C214011.5Semi standard non polar33892256
ADP,3TBDMS,isomer #11CC(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)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C213800.7Standard non polar33892256
ADP,3TBDMS,isomer #11CC(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)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C215734.6Standard polar33892256
ADP,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=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)C4007.6Semi standard non polar33892256
ADP,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=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)C3960.1Standard non polar33892256
ADP,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=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)C5696.3Standard polar33892256
ADP,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=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=C213997.4Semi standard non polar33892256
ADP,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=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=C214015.9Standard non polar33892256
ADP,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=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=C215656.5Standard polar33892256
ADP,3TBDMS,isomer #14CC(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)O[Si](C)(C)C(C)(C)C4056.8Semi standard non polar33892256
ADP,3TBDMS,isomer #14CC(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)O[Si](C)(C)C(C)(C)C3811.1Standard non polar33892256
ADP,3TBDMS,isomer #14CC(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)O[Si](C)(C)C(C)(C)C5544.2Standard polar33892256
ADP,3TBDMS,isomer #15CC(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)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O4077.0Semi standard non polar33892256
ADP,3TBDMS,isomer #15CC(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)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O3967.6Standard non polar33892256
ADP,3TBDMS,isomer #15CC(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)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O5515.5Standard polar33892256
ADP,3TBDMS,isomer #16CC(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)O4055.6Semi standard non polar33892256
ADP,3TBDMS,isomer #16CC(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)O4034.7Standard non polar33892256
ADP,3TBDMS,isomer #16CC(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)O5497.7Standard polar33892256
ADP,3TBDMS,isomer #17CC(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)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O4083.9Semi standard non polar33892256
ADP,3TBDMS,isomer #17CC(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)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O3936.6Standard non polar33892256
ADP,3TBDMS,isomer #17CC(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)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O5548.0Standard polar33892256
ADP,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)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]1O4044.4Semi standard non polar33892256
ADP,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)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]1O4031.9Standard non polar33892256
ADP,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)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]1O5533.4Standard polar33892256
ADP,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=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)C3980.9Semi standard non polar33892256
ADP,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=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)C3814.5Standard non polar33892256
ADP,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=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)C5873.2Standard polar33892256
ADP,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=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)C3966.8Semi standard non polar33892256
ADP,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=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)C3940.8Standard non polar33892256
ADP,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=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)C5833.1Standard polar33892256
ADP,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=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]1O4020.5Semi standard non polar33892256
ADP,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=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]1O3821.2Standard non polar33892256
ADP,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=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]1O5666.6Standard polar33892256
ADP,3TBDMS,isomer #5CC(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)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4031.7Semi standard non polar33892256
ADP,3TBDMS,isomer #5CC(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)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O3954.9Standard non polar33892256
ADP,3TBDMS,isomer #5CC(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)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O5646.7Standard polar33892256
ADP,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=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]1O4026.0Semi standard non polar33892256
ADP,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=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]1O3794.2Standard non polar33892256
ADP,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=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]1O5719.0Standard polar33892256
ADP,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=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]1O4015.0Semi standard non polar33892256
ADP,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=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]1O3955.1Standard non polar33892256
ADP,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=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]1O5683.0Standard polar33892256
ADP,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=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]1O4002.0Semi standard non polar33892256
ADP,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=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]1O4012.2Standard non polar33892256
ADP,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=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]1O5643.3Standard polar33892256
ADP,3TBDMS,isomer #9CC(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)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C214002.4Semi standard non polar33892256
ADP,3TBDMS,isomer #9CC(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)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C213827.8Standard non polar33892256
ADP,3TBDMS,isomer #9CC(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)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C215682.8Standard polar33892256
ADP,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=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[Si](C)(C)C(C)(C)C4121.0Semi standard non polar33892256
ADP,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=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[Si](C)(C)C(C)(C)C3823.4Standard non polar33892256
ADP,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=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[Si](C)(C)C(C)(C)C5519.6Standard polar33892256
ADP,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)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]1O4126.8Semi standard non polar33892256
ADP,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)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]1O4068.8Standard non polar33892256
ADP,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)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]1O5258.2Standard polar33892256
ADP,4TBDMS,isomer #11CC(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)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C214140.3Semi standard non polar33892256
ADP,4TBDMS,isomer #11CC(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)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C213803.8Standard non polar33892256
ADP,4TBDMS,isomer #11CC(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)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C215340.6Standard polar33892256
ADP,4TBDMS,isomer #12CC(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)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4151.8Semi standard non polar33892256
ADP,4TBDMS,isomer #12CC(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)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4014.9Standard non polar33892256
ADP,4TBDMS,isomer #12CC(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)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C5275.8Standard polar33892256
ADP,4TBDMS,isomer #13CC(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)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C214142.6Semi standard non polar33892256
ADP,4TBDMS,isomer #13CC(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)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C214076.2Standard non polar33892256
ADP,4TBDMS,isomer #13CC(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)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C215223.7Standard polar33892256
ADP,4TBDMS,isomer #14CC(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)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4152.6Semi standard non polar33892256
ADP,4TBDMS,isomer #14CC(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)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C3984.8Standard non polar33892256
ADP,4TBDMS,isomer #14CC(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)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C5293.3Standard polar33892256
ADP,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C214125.2Semi standard non polar33892256
ADP,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C214072.2Standard non polar33892256
ADP,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C215272.2Standard polar33892256
ADP,4TBDMS,isomer #16CC(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)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O4192.7Semi standard non polar33892256
ADP,4TBDMS,isomer #16CC(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)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O3978.3Standard non polar33892256
ADP,4TBDMS,isomer #16CC(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)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O5094.0Standard polar33892256
ADP,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)OP(=O)(O)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)O[Si](C)(C)C(C)(C)C4166.4Semi standard non polar33892256
ADP,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)OP(=O)(O)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)O[Si](C)(C)C(C)(C)C4078.7Standard non polar33892256
ADP,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)OP(=O)(O)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)O[Si](C)(C)C(C)(C)C5074.8Standard polar33892256
ADP,4TBDMS,isomer #18CC(C)(C)[Si](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([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4172.0Semi standard non polar33892256
ADP,4TBDMS,isomer #18CC(C)(C)[Si](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([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4052.6Standard non polar33892256
ADP,4TBDMS,isomer #18CC(C)(C)[Si](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([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O5090.2Standard polar33892256
ADP,4TBDMS,isomer #2CC(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)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4116.8Semi standard non polar33892256
ADP,4TBDMS,isomer #2CC(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)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4004.2Standard non polar33892256
ADP,4TBDMS,isomer #2CC(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)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C5434.2Standard polar33892256
ADP,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=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[Si](C)(C)C(C)(C)C4121.2Semi standard non polar33892256
ADP,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=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[Si](C)(C)C(C)(C)C3800.7Standard non polar33892256
ADP,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=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[Si](C)(C)C(C)(C)C5554.6Standard polar33892256
ADP,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=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[Si](C)(C)C(C)(C)C4109.9Semi standard non polar33892256
ADP,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=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[Si](C)(C)C(C)(C)C4005.7Standard non polar33892256
ADP,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=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[Si](C)(C)C(C)(C)C5488.7Standard polar33892256
ADP,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=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[Si](C)(C)C(C)(C)C4093.1Semi standard non polar33892256
ADP,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=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[Si](C)(C)C(C)(C)C4060.6Standard non polar33892256
ADP,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=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[Si](C)(C)C(C)(C)C5420.9Standard polar33892256
ADP,4TBDMS,isomer #6CC(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)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4149.8Semi standard non polar33892256
ADP,4TBDMS,isomer #6CC(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)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O3795.2Standard non polar33892256
ADP,4TBDMS,isomer #6CC(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)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O5322.3Standard polar33892256
ADP,4TBDMS,isomer #7CC(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)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4160.9Semi standard non polar33892256
ADP,4TBDMS,isomer #7CC(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)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4009.4Standard non polar33892256
ADP,4TBDMS,isomer #7CC(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)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O5249.9Standard polar33892256
ADP,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)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]1O4145.0Semi standard non polar33892256
ADP,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)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]1O4070.9Standard non polar33892256
ADP,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)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]1O5196.2Standard polar33892256
ADP,4TBDMS,isomer #9CC(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)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4159.8Semi standard non polar33892256
ADP,4TBDMS,isomer #9CC(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)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O3980.4Standard non polar33892256
ADP,4TBDMS,isomer #9CC(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)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O5279.2Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - ADP GC-MS (Non-derivatized) - 70eV, Positivesplash10-004i-5931200000-d741fb674f63c06ad31c2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - ADP GC-MS (2 TMS) - 70eV, Positivesplash10-004j-9814310000-161f4ca9b901a0d2af952017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - ADP GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - ADP Quattro_QQQ 10V, Positive-QTOF (Annotated)splash10-004i-0301900000-f65eba52a00479514d8e2012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - ADP Quattro_QQQ 25V, Positive-QTOF (Annotated)splash10-000i-0900000000-cdad0c415295c75e0b672012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - ADP Quattro_QQQ 40V, Positive-QTOF (Annotated)splash10-000i-1900000000-1f27fdf6dbd77cbe927d2012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - ADP LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOFsplash10-004i-0102981000-79c6771fae3255f758252012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - ADP LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOFsplash10-004i-0209000000-24c7ad0d0646786963be2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - ADP LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOFsplash10-004i-0009000000-d266bbe08f0bcb8102b42012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - ADP LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOFsplash10-001i-0000090000-8a788ef5a2c7ccc534e12012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - ADP LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Negative-QTOFsplash10-004i-6900600000-fe2194fd2a27df917e5b2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - ADP LC-ESI-ITFT , negative-QTOFsplash10-004i-0209000000-24c7ad0d0646786963be2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - ADP LC-ESI-QTOF , negative-QTOFsplash10-004i-6900600000-fe2194fd2a27df917e5b2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - ADP Linear Ion Trap , positive-QTOFsplash10-002k-0809500000-7fdcfab442e6730d4fea2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - ADP Linear Ion Trap , positive-QTOFsplash10-000b-0809400000-73322c322a5e1ac316352017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - ADP Linear Ion Trap , positive-QTOFsplash10-000b-0809200000-2c8f8cd308e88cb92e572017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - ADP 30V, Negative-QTOFsplash10-057i-4911200000-20884e27d643c976af4c2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - ADP 40V, Positive-QTOFsplash10-000i-1900000000-a2612ac21c9094d3d4b12021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - ADP 30V, Positive-QTOFsplash10-057i-4911100000-dd3ce00caeb0df03e97d2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - ADP 30V, Negative-QTOFsplash10-057i-4911200000-e33065defe20ce4643d72021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - ADP 35V, Negative-QTOFsplash10-057i-7900100000-d0630e8e3ad225b5f4152021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - ADP 20V, Positive-QTOFsplash10-000i-0910000000-164b37f4075a5627b64d2021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - ADP 10V, Positive-QTOFsplash10-000i-0911300000-0b0c309b755e7b5adfdb2016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - ADP 20V, Positive-QTOFsplash10-000i-0900000000-1d631dbd3ed3927f11942016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - ADP 40V, Positive-QTOFsplash10-000i-1900000000-0e5039d8b3a6bd79b7d62016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - ADP 10V, Negative-QTOFsplash10-0059-0900700000-ae031f4329b6e38885e82016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - ADP 20V, Negative-QTOFsplash10-001i-3900000000-4c42d87cdde0e19180712016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - ADP 40V, Negative-QTOFsplash10-004i-9200000000-3eb64003e08db733f0e22016-09-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Experimental 1D NMR1H NMR Spectrum (1D, 600 MHz, DMSO, experimental)2021-10-10Wishart LabView Spectrum
Experimental 1D NMR1H NMR Spectrum (1D, 600 MHz, DMSO, experimental)2021-10-10Wishart LabView Spectrum
Experimental 2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, 100%_DMSO, experimental)2012-12-05Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Mitochondria
  • Nucleus
  • Endoplasmic reticulum
  • Peroxisome
Biospecimen Locations
  • Blood
  • Cellular Cytoplasm
  • Cerebrospinal Fluid (CSF)
  • Saliva
  • Urine
Tissue Locations
  • All Tissues
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified160.0 +/- 14.0 uMAdult (>18 years old)MaleNormal
    • Geigy Scientific ...
 details
Cellular CytoplasmDetected and Quantified270 (150-390) uMAdult (>18 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified1.90 +/- 0.025 uMAdult (>18 years old)BothNormal details
SalivaDetected and Quantified0.0257 +/- 0.0618 uMAdult (>18 years old)Female
Normal
    • Sugimoto et al. (...
 details
SalivaDetected and Quantified0.169 +/- 0.234 uMAdult (>18 years old)Not Specified
Normal
    • Sugimoto et al. (...
 details
SalivaDetected and Quantified0.207 +/- 0.324 uMAdult (>18 years old)Both
Normal
    • Sugimoto et al. (...
 details
SalivaDetected and Quantified1.23 +/- 0.13 uMAdult (>18 years old)Both
Normal		 details
SalivaDetected and Quantified1.39 +/- 0.16 uMAdult (>18 years old)Both
Normal		 details
SalivaDetected and Quantified0.298 +/- 0.316 uMAdult (>18 years old)Female
Normal
    • Sugimoto et al. (...
 details
SalivaDetected and Quantified1.26 +/- 0.19 uMAdult (>18 years old)Both
Normal		 details
SalivaDetected and Quantified0.317 +/- 0.491 uMAdult (>18 years old)Female
Normal
    • Sugimoto et al. (...
 details
SalivaDetected and Quantified0.387 +/- 0.462 uMAdult (>18 years old)Not Specified
Normal
    • Sugimoto et al. (...
 details
SalivaDetected and Quantified0.433 +/- 0.363 uMAdult (>18 years old)Both
Normal
    • Sugimoto et al. (...
 details
UrineDetected and Quantified2.654 +/- 2.236 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Normal
    • Analysis of 30 no...
 details
UrineDetected and Quantified1.8 (1.0-3.4) umol/mmol creatinineAdult (>18 years old)Both
Normal		 details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
Cerebrospinal Fluid (CSF)Detected and Quantified1.10 +/- 0.60 uMAdult (>18 years old)BothRachialgia details
Cerebrospinal Fluid (CSF)Detected and Quantified0.91 +/- 0.46 uMAdult (>18 years old)BothSubarachnoid hemorrhage details
Cerebrospinal Fluid (CSF)Detected and Quantified0.63 +/- 0.37 uMAdult (>18 years old)BothEpilepsy details
Cerebrospinal Fluid (CSF)Detected and Quantified1.86 +/- 1.67 uMAdult (>18 years old)Both
Stroke		 details
Cerebrospinal Fluid (CSF)Detected and Quantified1.62 +/- 0.96 uMAdult (>18 years old)BothNeuroinfection details
UrineDetected and Quantified3.242 +/- 1.657 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Eosinophilic esophagitis
    • Analysis of 30 no...
 details
Associated Disorders and Diseases
Disease References
Rachialgia
  1. 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
  1. 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
  1. 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
  1. 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
  1. 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 ]
Eosinophilic esophagitis
  1. Slae, M., Huynh, H., Wishart, D.S. (2014). Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work). NA.
Associated OMIM IDs
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB021817
KNApSAcK IDC00019353
Chemspider ID5800
KEGG Compound IDC00008
BioCyc IDADP
BiGG ID33496
Wikipedia LinkAdenosine_diphosphate
METLIN ID6175
PubChem Compound6022
PDB IDNot Available
ChEBI ID16761
Food Biomarker OntologyNot Available
VMH IDADP
MarkerDB IDMDB00000316
Good Scents IDNot Available
References
Synthesis ReferenceYamagata, Yukio. Prebiotic formation of ADP and ATP from AMP, calcium phosphates and cyanate in aqueous solution. Origins of Life and Evolution of the Biosphere (1999), 29(5), 511-520.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. 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 ]
  2. Cuisset T, Frere C, Quilici J, Barbou F, Morange PE, Hovasse T, Bonnet JL, Alessi MC: High post-treatment platelet reactivity identified low-responders to dual antiplatelet therapy at increased risk of recurrent cardiovascular events after stenting for acute coronary syndrome. J Thromb Haemost. 2006 Mar;4(3):542-9. Epub 2005 Dec 22. [PubMed:16371119 ]
  3. Quinton TM, Kim S, Jin J, Kunapuli SP: Lipid rafts are required in Galpha(i) signaling downstream of the P2Y12 receptor during ADP-mediated platelet activation. J Thromb Haemost. 2005 May;3(5):1036-41. [PubMed:15869601 ]
  4. Saxena R, Gupta M, Gupta S, Kannan M, Ahmed RP, Choudhry VP: Inherited heterogenous defect in platelet aggregation selectively with ADP and epinephrine--a series of 25 cases. Indian J Pathol Microbiol. 2005 Jul;48(3):345-8. [PubMed:16761747 ]
  5. Corsonello A, Malara A, De Domenico D, Damiano MC, Mirone S, Loddo S, Ientile R, Corica F: Effects of magnesium sulphate on leptin-dependent platelet aggregation: an ex vivo study. Magnes Res. 2005 Mar;18(1):7-11. [PubMed:15945611 ]
  6. Imura Y, Stassen JM, Bunting S, Stockmans F, Collen D: Antithrombotic properties of L-cysteine, N-(mercaptoacetyl)-D-Tyr-Arg-Gly-Asp-sulfoxide (G4120) in a hamster platelet-rich femoral vein thrombosis model. Blood. 1992 Sep 1;80(5):1247-53. [PubMed:1515641 ]
  7. Cuisset T, Frere C, Quilici J, Morange PE, Nait-Saidi L, Carvajal J, Lehmann A, Lambert M, Bonnet JL, Alessi MC: Benefit of a 600-mg loading dose of clopidogrel on platelet reactivity and clinical outcomes in patients with non-ST-segment elevation acute coronary syndrome undergoing coronary stenting. J Am Coll Cardiol. 2006 Oct 3;48(7):1339-45. Epub 2006 Sep 12. [PubMed:17010792 ]
  8. Vigue C, Vigue L, Huszar G: Adenosine triphosphate (ATP) concentrations and ATP/adenosine diphosphate ratios in human sperm of normospermic, oligospermic, and asthenospermic specimens and in their swim-up fractions: lack of correlation between ATP parameters and sperm creatine kinase concentrations. J Androl. 1992 Jul-Aug;13(4):305-11. [PubMed:1399831 ]
  9. Smith SM, Judge HM, Peters G, Storey RF: Multiple antiplatelet effects of clopidogrel are not modulated by statin type in patients undergoing percutaneous coronary intervention. Platelets. 2004 Dec;15(8):465-74. [PubMed:15763887 ]
  10. Ji Q, Ghaly M, Hjemdahl P, Tornvall P, Li N: Contrast medium attenuates platelet activation and platelet-leukocyte cross-talk. Thromb Haemost. 2005 May;93(5):922-6. [PubMed:15886810 ]
  11. Morshedi M, Oehninger S, Blackmore P, Bocca S, Coddington C, Hodgen G: Investigation of some biochemical and functional effects of cryopreservation of human spermatozoa using an automated freezing-quick-thawing method. Int J Androl. 1995 Dec;18(6):279-86. [PubMed:8719843 ]
  12. Hua J, Suguro S, Iwabuchi K, Tsutsumi-Ishii Y, Sakamoto K, Nagaoka I: Glucosamine, a naturally occurring amino monosaccharide, suppresses the ADP-mediated platelet activation in humans. Inflamm Res. 2004 Dec;53(12):680-8. [PubMed:15654516 ]
  13. Shabanova EY, Mindukshev IV, Malakhovskaya EA, Vivulanets EV, Petrishchev NN, Krivchenko AI: Cooperative type of platelet hypersensitivity to ADP. Bull Exp Biol Med. 2005 Sep;140(3):282-4. [PubMed:16307036 ]

Only showing the first 10 proteins. There are 788 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)CDPdetails
Adenosine triphosphate + Uridine 5'-monophosphate → ADP + Uridine 5'-diphosphatedetails
Adenosine triphosphate + Cytidine monophosphate → ADP + CDPdetails
Adenosine triphosphate + dCMP → ADP + dCDPdetails
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 monophosphatedetails
Adenosine triphosphate + Deoxycytidine → ADP + dCMPdetails
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 Adetails
Adenosine triphosphate + Citric acid + Coenzyme A → ADP + Phosphate + Acetyl-CoA + Oxalacetic aciddetails
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-CoAdetails
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 proteindetails
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 aciddetails
Enzyme Details
6. 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-CoAdetails
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 proteindetails
Enzyme Details
7. 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 + dTDPdetails
Adenosine triphosphate + dUMP → ADP + dUDPdetails
Enzyme Details
8. 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 → ADP + Phosphatedetails
ADP + Water → Adenosine monophosphate + Phosphatedetails
Enzyme Details
9. Soluble calcium-activated nucleotidase 1
General function:
Involved in calcium ion binding
Specific function:
Calcium-dependent nucleotidase with a preference for UDP. The order of activity with different substrates is UDP > GDP > UTP > GTP. Has very low activity towards ADP and even lower activity towards ATP. Does not hydrolyze AMP and GMP. Involved in proteoglycan synthesis.
Gene Name:
CANT1
Uniprot ID:
Q8WVQ1
Molecular weight:
44839.24
Enzyme Details
10. Ectonucleoside triphosphate diphosphohydrolase 3
General function:
Involved in hydrolase activity
Specific function:
Has a threefold preference for the hydrolysis of ATP over ADP.
Gene Name:
ENTPD3
Uniprot ID:
O75355
Molecular weight:
59104.76
Reactions
Adenosine triphosphate + Water → ADP + Phosphatedetails
ADP + Water → Adenosine monophosphate + Phosphatedetails

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

Only showing the first 10 proteins. There are 788 proteins in total.

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