ACQ

DIPHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER

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as a non-polymer is covalently linked to polymer or other heterogen groups 1 entries

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Chemical Component Summary
Name	DIPHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
Synonyms	ADENOSINE-5'-[BETA, GAMMA-METHYLENE]TETRAPHOSPHATE
Identifiers	[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]methyl-phosphonooxy-phosphinic acid
Formula	C₁₁ H₁₉ N₅ O₁₅ P₄
Molecular Weight	585.188
Type	NON-POLYMER
Isomeric SMILES	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N
InChI	InChI=1S/C11H19N5O15P4/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(29-11)1-28-35(26,27)31-33(21,22)4-32(19,20)30-34(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H,26,27)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1
InChIKey	ARRGHMSEJJFDME-IOSLPCCCSA-N

Chemical Details
Formal Charge	0
Atom Count	54
Chiral Atom Count	7
Bond Count	56
Aromatic Bond Count	10

Drug Info: DrugBank

DrugBank ID	DB03755
Name	Adenosine-5'-[Beta, Gamma-Methylene]Tetraphosphate
Groups	experimental
Synonyms	Adenosine-5'-[Beta, Gamma-Methylene]Tetraphosphate

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Folylpolyglutamate synthase	MNYTETVAYIHSFPRLAKTGDHRRILTLLHALGNPQQQGRYIHVTGTNGK...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682