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Adenosine Triphosphate

Adenosine Triphosphate

Synopsis, Chemistry

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Also known as: Adenosine triphosphate, 56-65-5, Adenosine 5'-triphosphate, Atp, Triphosphaden, Atipi

Molecular Formula

C₁₀H₁₆N₅O₁₃P₃

Molecular Weight

507.18 g/mol

InChI Key

ZKHQWZAMYRWXGA-KQYNXXCUSA-N

FDA UNII

8L70Q75FXE

An adenine nucleotide containing three phosphate groups esterified to the sugar moiety. In addition to its crucial roles in metabolism adenosine triphosphate is a neurotransmitter.

1 2D Structure

Adenosine Triphosphate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

2.1.2 InChI

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

2.1.3 InChI Key

ZKHQWZAMYRWXGA-KQYNXXCUSA-N

2.1.4 Canonical SMILES

C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N

2.1.5 Isomeric SMILES

C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N

2.2 Other Identifiers

2.2.1 UNII

8L70Q75FXE

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Adenosine Triphosphate

2. Adenosine Triphosphate, Calcium Salt

3. Adenosine Triphosphate, Chromium Ammonium Salt

4. Adenosine Triphosphate, Chromium Salt

5. Adenosine Triphosphate, Magnesium Chloride

6. Adenosine Triphosphate, Magnesium Salt

7. Adenosine Triphosphate, Manganese Salt

8. Adenylpyrophosphate

9. Atp

10. Atp Mgcl2

11. Atp-mgcl2

12. Atriphos

13. Caatp

14. Chromium Adenosine Triphosphate

15. Cr(h2o)4 Atp

16. Cratp

17. Magnesium Adenosine Triphosphate

18. Manganese Adenosine Triphosphate

19. Mgatp

20. Mnatp

21. Striadyne

2.3.2 Depositor-Supplied Synonyms

1. Adenosine Triphosphate

2. 56-65-5

3. Adenosine 5'-triphosphate

4. Atp

5. Triphosphaden

6. Atipi

7. Myotriphos

8. Striadyne

9. Triadenyl

10. Atriphos

11. Adenosine 5'-(tetrahydrogen Triphosphate)

12. Glucobasin

13. Adephos

14. Adetol

15. Adynol

16. 5'-atp

17. Triphosaden

18. Adenylpyrophosphoric Acid

19. Triphosphoric Acid Adenosine Ester

20. Adenosine 5'-triphosphoric Acid

21. Atp (nucleotide)

22. Cardenosine

23. Fosfobion

24. Adenosintriphosphorsaeure

25. Ara-atp

26. Adenosine-triphosphate

27. Ado-5'-p-p-p

28. H4atp

29. 11016-17-4

30. 9-beta-d-arabinofuranosyladenine 5'-triphosphate

31. Chebi:15422

32. Adenylpyrophosphate

33. Adenosine, 5'-(tetrahydrogen Triphosphate)

34. Adenosine 5' Triphosphate

35. 3-methylbenzo[d]thiazol-3-ium Chloride

36. Chembl14249

37. 8l70q75fxe

38. 126827-79-0

39. Adenosine-5'-triphosphoric Acid

40. ((2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl Tetrahydrogen Triphosphate

41. [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] Phosphono Hydrogen Phosphate

42. 119439-06-4

43. Ncgc00163309-01

44. 126339-06-8

45. Atp Disodium Salt Hydrate

46. Phosphobion

47. 51963-61-2

48. ({[({[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic Acid

49. Einecs 200-283-2

50. Unii-8l70q75fxe

51. Mfcd00065467

52. 1kxp

53. 1mau

54. 1maw

55. 1vjc

56. 1vjd

57. 1xsc

58. 1yid

59. 2cbz

60. 2fgh

61. Adenylpyrophosphorate

62. Triphosadenine (dcf)

63. 1gz3

64. 1gz4

65. 1r0x

66. 1y8p

67. Bdbm2

68. 3h-adenosine Triphosphate

69. Dsstox_cid_2559

70. Bmse000006

71. Bmse000854

72. Bmse000993

73. Epitope Id:135612

74. Adenosine 5'-triphosphorate

75. Schembl8979

76. Dsstox_rid_76629

77. Dsstox_gsid_22559

78. Gtpl1713

79. Dtxsid6022559

80. 1b38

81. 1b39

82. 1m83

83. 1r10

84. 1t44

85. Bio1_000406

86. Bio1_000895

87. Bio1_001384

88. Adenosine Triphosphate [mi]

89. Act02649

90. Amy22292

91. Hy-b2176

92. Zinc4261765

93. Tox21_112044

94. Adenosine Triphosphate [inci]

95. Bdbm50366480

96. S5260

97. Adenosine Triphosphate [vandf]

98. Adenosine Triphosphate [mart.]

99. Akos022179934

100. Adenosine Triphosphate [who-dd]

101. Cs-7674

102. Db00171

103. Cas-56-65-5

104. Adenosine 5'-triphosphate; Triphosphaden

105. [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] Phosphono Hydrogen Phosphate

106. 5'-(tetrahydrogen Triphosphate) Adenosine

107. Ac-32151

108. As-19204

109. Db-022415

110. C00002

111. D08646

112. D70159

113. Q80863

114. 065a467

115. A831137

116. W-105506

117. A9788c43-4bc5-46e2-8560-41c5fa7d3aa3

118. 9h-purin-6-amine, 9-[5-o-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]

119. [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) Hydrogen Phosphate

120. [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) Hydrogen Phosphate;((2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl Tetrahydrogen Triphosphate

121. [[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic Acid

122. 9h-purin-6-amine, 9-[5-o-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-.beta.-d-ribofuranosyl]-

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₆N₅O₁₃P₃
Molecular Weight	507.18 g/mol
XLogP3	-5.7
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	8
Exact Mass	506.99574658 g/mol
Monoisotopic Mass	506.99574658 g/mol
Topological Polar Surface Area	279 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	800
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Drug and Medication Information

4.1 Drug Indication

For nutritional supplementation, also for treating dietary shortage or imbalance

5 Pharmacology and Biochemistry

5.1 Pharmacology

Adenosine triphosphate (ATP) is the nucleotide known in biochemistry as the "molecular currency" of intracellular energy transfer; that is, ATP is able to store and transport chemical energy within cells. ATP also plays an important role in the synthesis of nucleic acids. The total quantity of ATP in the human body is about 0.1 mole. The energy used by human cells requires the hydrolysis of 200 to 300 moles of ATP daily. This means that each ATP molecule is recycled 2000 to 3000 times during a single day. ATP cannot be stored, hence its consumption must closely follow its synthesis.

5.2 Mechanism of Action

ATP is able to store and transport chemical energy within cells. ATP also plays an important role in the synthesis of nucleic acids. ATP can be produced by various cellular processes, most typically in mitochondria by oxidative phosphorylation under the catalytic influence of ATP synthase. The total quantity of ATP in the human body is about 0.1 mole. The energy used by human cells requires the hydrolysis of 200 to 300 moles of ATP daily. This means that each ATP molecule is recycled 2000 to 3000 times during a single day. ATP cannot be stored, hence its consumption must closely follow its synthesis.