103

2',5'-DIDEOXY-ADENOSINE 3'-MONOPHOSPHATE

Created:	1999-08-17
Last modified:	2011-06-04

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1 entries where 103 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	3
Bond Count	37
Aromatic Bond Count	10

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Chemical Component Summary
Name	2',5'-DIDEOXY-ADENOSINE 3'-MONOPHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyl-oxolan-3-yl] dihydrogen phosphate
Formula	C₁₀ H₁₄ N₅ O₅ P
Molecular Weight	315.222
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OC3C(OC(n2cnc1c(ncnc12)N)C3)C
SMILES	CACTVS	3.341	C[CH]1O[CH](C[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23
SMILES	OpenEye OEToolkits	1.5.0	CC1C(CC(O1)n2cnc3c2ncnc3N)OP(=O)(O)O
Canonical SMILES	CACTVS	3.341	C[C@H]1O[C@H](C[C@@H]1O[P](O)(O)=O)n2cnc3c(N)ncnc23
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C10H14N5O5P/c1-5-6(20-21(16,17)18)2-7(19-5)15-4-14-8-9(11)12-3-13-10(8)15/h3-7H,2H2,1H3,(H2,11,12,13)(H2,16,17,18)/t5-,6+,7-/m1/s1
InChIKey	InChI	1.03	NFGZMOICZSFFLB-DSYKOEDSSA-N

Drug Info: DrugBank

DrugBank ID	DB06843
Name	2',5'-DIDEOXY-ADENOSINE 3'-MONOPHOSPHATE
Groups	experimental
Synonyms	2',5'-DIDEOXY-ADENOSINE 3'-MONOPHOSPHATE

Drug Targets

Name	Target Sequence	Pharmacological Action
Guanine nucleotide-binding protein G(s) subunit alpha isoforms short	MGCLGNSKTEDQRNEEKAQREANKKIEKQLQKDKQVYRATHRLLLLGAGE...	unknown
Adenylate cyclase type 2	MWQEAMRRRRYLRDRSEEAAGGGDGLPRSRDWLYESYYCMSQQHPLIVFL...	unknown
Adenylate cyclase type 5	MSGSKSVSPPGYAAQKTAAPAPRGGPEHRSAWGEADSRANGYPHAPGGSA...	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