NP-MRD: Showing NP-Card for Adenosine diphosphate (NP0000068)

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Record Information

Version

2.0

Created at

2005-11-16 15:48:42 UTC

Updated at

2021-08-15 04:56:50 UTC

NP-MRD ID

NP0000068

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Adenosine diphosphate

Description

Adenosine 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

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


  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

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


  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>
NP0000068

> <DATABASE_NAME>
NP-MRD

> <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

$$$$

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

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

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

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

View in JSmol

Synonyms

Value	Source
5'-Adenylphosphoric acid	ChEBI
Adenosine 5'-diphosphate	ChEBI
ADENOSINE-5'-diphosphATE	ChEBI
H3ADP	ChEBI
5'-Adenylphosphate	Generator
Adenosine 5'-diphosphoric acid	Generator
ADENOSINE-5'-diphosphoric acid	Generator
Adenosindiphosphorsaeure	HMDB
Adenosine 5'-pyrophosphate	HMDB
Adenosine diphosphate	HMDB
Adenosine pyrophosphate	HMDB
Adenosine-5-diphosphate	HMDB
Adenosine-diphosphate	HMDB
5'-Pyrophosphate, adenosine	HMDB
Adenosine 5' pyrophosphate	HMDB
Diphosphate, adenosine	HMDB
Magnesium ADP	HMDB
MgADP	HMDB
Pyrophosphate, adenosine	HMDB
ADP, Magnesium	HMDB
Adenosine diphosphoric acid	HMDB
ADP	MeSH

Chemical Formula

C₁₀H₁₅N₅O₁₀P₂

Average Mass

427.2011 Da

Monoisotopic Mass

427.02941 Da

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 Name

adenosine-diphosphate

CAS Registry Number

58-64-0

SMILES

[H][C@]1(COP(O)(=O)OP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O

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

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, 100%_DMSO, experimental)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 600 MHz, DMSO, simulated)	varshavi.d26@gmail.com	Not Available	Not Available	2021-08-14	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, DMSO, simulated)	varshavi.d26@gmail.com	Not Available	Not Available	2021-08-14	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Anas platyrhynchos	FooDB	FooDB
Anatidae	FooDB	FooDB
Anser anser	FooDB	FooDB
Arabidopsis thaliana	LOTUS Database	35616633
Bison bison	FooDB	FooDB
Bos taurus	FooDB	FooDB
Bos taurus X Bison bison	FooDB	FooDB
Bubalus bubalis	FooDB	FooDB
Cannabis sativa	CannabisDB	Not Available
Capra aegagrus hircus	FooDB	FooDB
Cervidae	FooDB	FooDB
Cervus canadensis	FooDB	FooDB
Columba	FooDB	FooDB
Columbidae	FooDB	FooDB
Dromaius novaehollandiae	FooDB	FooDB
Equus caballus	FooDB	FooDB
Gallus gallus	FooDB	FooDB
Helianthus tuberosus	LOTUS Database	35616633
Homo sapiens	LOTUS Database	35616633
Lagopus muta	FooDB	FooDB
Leporidae	FooDB	FooDB
Lepus timidus	FooDB	FooDB
Melanitta fusca	FooDB	FooDB
Meleagris gallopavo	FooDB	FooDB
Mus musculus	LOTUS Database	35616633
Musca domestica	LOTUS Database	35616633
Numida meleagris	FooDB	FooDB
Odocoileus	FooDB	FooDB
Oryctolagus	FooDB	FooDB
Ovis aries	FooDB	FooDB
Phasianidae	FooDB	FooDB
Phasianus colchicus	FooDB	FooDB
Struthio camelus	FooDB	FooDB
Sus scrofa	FooDB	FooDB
Sus scrofa domestica	FooDB	FooDB

Species Where Detected

Species Name	Source	Reference
Escherichia coli	KNApSAcK Database	22123792
Homo sapiens (Urine)	KNApSAcK Database	22123792

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.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Purine nucleotides

Sub Class

Purine ribonucleotides

Direct Parent

Purine 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 Framework

Aromatic heteropolycyclic compounds

External Descriptors

purine ribonucleoside 5'-diphosphate (CHEBI:16761 )
adenosine 5'-phosphate (CHEBI:16761 )
Ribonucleotides (C00008 )

Physical Properties

State

Solid

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	-2.64	https://en.wikipedia.org/wiki/Adenosine_diphosphate

Predicted Properties

Property	Value	Source
Water Solubility	3.27 g/L	ALOGPS
logP	-1.6	ALOGPS
logP	-4.7	ChemAxon
logS	-2.1	ALOGPS
pKa (Strongest Acidic)	1.77	ChemAxon
pKa (Strongest Basic)	4	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	232.6 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	84.94 m³·mol⁻¹	ChemAxon
Polarizability	34.24 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

HMDB0001341

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

Adenosine_diphosphate

METLIN ID

6175

PubChem Compound

6022

PDB ID

Not Available

ChEBI ID

16761

Good Scents ID

rw1686181

References

General References

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 ]
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 ]
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 ]
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 ]
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 ]
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 ]
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 ]
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 ]
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 ]
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 ]
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 ]
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 ]

Showing NP-Card for Adenosine diphosphate (NP0000068)

MOL for NP0000068 (Adenosine diphosphate)

3D MOL for NP0000068 (Adenosine diphosphate)

3D SDF for NP0000068 (Adenosine diphosphate)

3D-SDF for NP0000068 (Adenosine diphosphate)

PDB for NP0000068 (Adenosine diphosphate)

3D PDB for NP0000068 (Adenosine diphosphate)

SMILES for NP0000068 (Adenosine diphosphate)

INCHI for NP0000068 (Adenosine diphosphate)

Structure for NP0000068 (Adenosine diphosphate)

3D Structure for NP0000068 (Adenosine diphosphate)