APC

DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER

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is present as a standalone ligand in 151 entries

as a non-polymer is covalently linked to polymer or other heterogen groups 2 entries

is present in a polymer sequence 3 entries

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Chemical Component Summary
Name	DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER
Synonyms	ALPHA,BETA-METHYLENEADENOSINE-5'-TRIPHOSPHATE
Identifiers	[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]methyl-phosphonooxy-phosphinic acid
Formula	C₁₁ H₁₈ N₅ O₁₂ P₃
Molecular Weight	505.208
Type	NON-POLYMER
Isomeric SMILES	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N
InChI	InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1
InChIKey	CAWZRIXWFRFUQB-IOSLPCCCSA-N

Chemical Details
Formal Charge	0
Atom Count	49
Chiral Atom Count	6
Bond Count	51
Aromatic Bond Count	10

Drug Info: DrugBank

DrugBank ID	DB02596
Name	alpha,beta-Methyleneadenosine 5'-triphosphate
Groups	experimental
Synonyms	adenosine 5'-[alpha,beta-methylene]triphosphate alpha,beta-Methylene ATP alpha,beta-Methyleneadenosine 5'-triphosphate adenosine 5'-[α,β-methylene]triphosphate alpha,beta-MeATP
Categories	Adenine Nucleotides Antineoplastic Agents Heterocyclic Compounds, Fused-Ring Nucleic Acids, Nucleotides, and Nucleosides Nucleotides Purine Nucleotides Purines Ribonucleotides
CAS number	7292-42-4

Drug Targets

Name	Target Sequence	Pharmacological Action
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase	MTVAYIAIGSNLASPLEQVNAALKALGDIPESHILTVSSFYRTPPLGPQD...	unknown
Pantothenate synthetase	MTIPAFHPGELNVYSAPGDVADVSRALRLTGRRVMLVPTMGALHEGHLAL...	unknown
NH(3)-dependent NAD(+) synthetase	MSMQEKIMRELHVKPSIDPKQEIEDRVNFLKQYVKKTGAKGFVLGISGGQ...	unknown
Nicotinamide mononucleotide adenylyltransferase 3	MKSRIPVVLLACGSFNPITNMHLRMFEVARDHLHQTGMYQVIQGIISPVN...	unknown
Adenylate cyclase	MSSPNRKLKPTILVVDDEPDNLDLLYRTFHREFKVLKAESGPAALKILEE...	unknown
NTPase P4	MIHLYDAKSFAKLRAAQYAAFHTDAPGSWFDHTSGVLESVEDGTPVLAIG...	unknown
Probable lignin peroxidase LipJ	MAQAPHIHRTRYAKCGDMDIAYQVLGDGPTDLLVLPGPFVPIDSIDDEPS...	unknown
Carbapenam-3-carboxylate synthase	MSNSFCVVYKGSDTDINNIQRDFDGKGEALSNGYLFIEQNGHYQKCEMER...	unknown
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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