3AD

3'-DEOXYADENOSINE

Created:	2000-08-03
Last modified:	2011-06-04

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4 entries where 3AD is found as a standalone ligand2 entries where 3AD is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	3
Bond Count	33
Aromatic Bond Count	10

2D diagram of 3AD

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Chemical Component Summary
Name	3'-DEOXYADENOSINE
Systematic Name (OpenEye OEToolkits)	(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
Formula	C₁₀ H₁₃ N₅ O₃
Molecular Weight	251.242
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n2c1c(ncnc1n(c2)C3OC(CC3O)CO)N
SMILES	CACTVS	3.341	Nc1ncnc2n(cnc12)[CH]3O[CH](CO)C[CH]3O
SMILES	OpenEye OEToolkits	1.5.0	c1nc(c2c(n1)n(cn2)C3C(CC(O3)CO)O)N
Canonical SMILES	CACTVS	3.341	Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)C[C@H]3O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO)O)N
InChI	InChI	1.03	InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1
InChIKey	InChI	1.03	OFEZSBMBBKLLBJ-BAJZRUMYSA-N

Drug Info: DrugBank

DrugBank ID	DB12156
Name	Cordycepin
Groups	investigational
Description	Cordycepin has been used in trials studying the treatment of Leukemia.
Synonyms	Cordycepin
Categories	Anti-Infective Agents Antifungal Agents Antineoplastic Agents Deoxyribonucleosides Heterocyclic Compounds, Fused-Ring Mutagens Noxae Nucleic Acids, Nucleotides, and Nucleosides Nucleosides Purine Nucleosides Purines Toxic Actions
CAS number	73-03-0

Related Resource References

Resource Name	Reference
PubChem	6303
ChEMBL	CHEMBL305686
ChEBI	CHEBI:29014
COD	2006741

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