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ATP dimagnesium

CAT: 1568-C03715-04Size: 1 gDry Ice: NoHazardous: No
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CAS Number
74804-12-9
Synonyms
Adenosine 5'-triphosphate dimagnesium
SKU
C03715-5mg
Target
NLRP3
Applications
Immunology & Inflammation
Additionnal Information
ATP dimagnesium (Adenosine 5'-triphosphate dimagnesium) is a central molecule in energy metabolism, driving cellular pumps and acting as a coenzyme. It also functions as an endogenous signaling molecule that modulates immune responses and activates the NLRP3 inflammasome, contributing to host defense during bacterial infections.

Chemical Information

Adenosine triphosphate magnesium
CAS Number74804-12-9
PubChem CID18666496
IUPAC Namedimagnesium;[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
Molecular FormulaC10H12Mg2N5O13P3
Molecular Weight551.76
Topological Polar Surface Area290
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count17
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity772
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.[Mg+2].[Mg+2]
InChI
InChI=1S/C10H16N5O13P3.2Mg/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);;/q;2*+2/p-4/t4-,6-,7-,10-;;/m1../s1
InChIKey
YGXMYKTZDMYISM-IDIVVRGQSA-J
Chemical Structure
2D Structure
2D structure of Adenosine triphosphate magnesium
CAS: 74804-12-9
CID: 18666496
Formula: C10H12Mg2N5O13P3
MW: 551.76
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight551.76
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count17
Rotatable Bond Count7
Exact Mass550.9345298
Monoisotopic Mass550.9345298
Topological Polar Surface Area290 Ų
Heavy Atom Count33
Formal Charge0
Complexity772
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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