ACP

PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER



Chemical Component Summary

NamePHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
SynonymsADENOSINE-5'-[BETA, GAMMA-METHYLENE]TRIPHOSPHATE
Identifiers[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]methylphosphonic acid
FormulaC11 H18 N5 O12 P3
Molecular Weight505.208
TypeNON-POLYMER
Isomeric SMILESc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N
InChIInChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-31(24,25)28-30(22,23)4-29(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1
InChIKeyUFZTZBNSLXELAL-IOSLPCCCSA-N

Chemical Details

Formal Charge0
Atom Count49
Chiral Atom Count6
Bond Count51
Aromatic Bond Count10

Drug Info: DrugBank

DrugBank IDDB03909 
NameAdenosine-5'-[Beta, Gamma-Methylene]Triphosphate
Groups experimental
SynonymsAdenosine-5'-[Beta, Gamma-Methylene]Triphosphate

Drug Targets

NameTarget SequencePharmacological ActionActions
Folylpolyglutamate synthaseMNYTETVAYIHSFPRLAKTGDHRRILTLLHALGNPQQQGRYIHVTGTNGK...unknown
Chemotaxis protein CheAMMEEYLGVFVDETKEYLQNLNDTLLELEKNPEDMELINEAFRALHTLKGM...unknown
UDP-N-acetylmuramate--L-alanine ligaseMKHSHEEIRKIIPEMRRVQQIHFIGIGGAGMSGIAEILLNEGYQISGSDI...unknown
Thermoresistant gluconokinaseMSTTNHDHHIYVLMGVSGSGKSAVASEVAHQLHAAFLDGDFLHPRRNIEK...unknown
Phosphoribosylglycinamide formyltransferase 2MTLLGTALRPAATRVMLLGSGELGKEVAIECQRLGVEVIAVDRYADAPAM...unknown
View More
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

Related Resource References

Resource NameReference
Pharos CHEMBL133463
PubChem 91532
ChEMBL CHEMBL133463
ChEBI CHEBI:40532