ABM

METHYL PHOSPHONIC ACID ADENOSINE ESTER

Created: 1999-12-16
Last modified:  2021-03-01

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Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count5
Bond Count41
Aromatic Bond Count10
2D diagram of ABM
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Chemical Component Summary

NameMETHYL PHOSPHONIC ACID ADENOSINE ESTER
SynonymsALPHA-METHYLENE ADENOSINE MONOPHOSPHATE
Systematic Name (OpenEye OEToolkits)[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-methyl-phosphinic acid
FormulaC11 H16 N5 O6 P
Molecular Weight345.248
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=P(O)(OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C
SMILESCACTVS3.341C[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
SMILESOpenEye OEToolkits1.5.0CP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
Canonical SMILESCACTVS3.341 C[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
Canonical SMILESOpenEye OEToolkits1.5.0 C[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
InChIInChI1.03 InChI=1S/C11H16N5O6P/c1-23(19,20)21-2-5-7(17)8(18)11(22-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H,19,20)(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
InChIKeyInChI1.03 PXSSQXBLDTZHLF-IOSLPCCCSA-N

Drug Info: DrugBank

DrugBank IDDB02798 
NameAlpha-Methylene Adenosine Monophosphate
Groups experimental
SynonymsAlpha-Methylene Adenosine Monophosphate

Drug Targets

NameTarget SequencePharmacological ActionActions
Ribose-phosphate pyrophosphokinaseMSNQYGDKNLKIFSLNSNPELAKEIADIVGVQLGKCSVTRFSDGEVQINI...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

Related Resource References

Resource NameReference
PubChem 445093