ARJ

(2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentanone

Created:	2008-03-05
Last modified:	2021-03-01

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2 entries where ARJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	3
Bond Count	34
Aromatic Bond Count	10

2D diagram of ARJ

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Chemical Component Summary
Name	(2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentanone
Synonyms	3'-keto-aristeromycin
Systematic Name (OpenEye OEToolkits)	(2S,3R,5R)-3-(6-aminopurin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentan-1-one
Formula	C₁₁ H₁₃ N₅ O₃
Molecular Weight	263.253
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C3C(O)C(n1c2ncnc(c2nc1)N)CC3CO
SMILES	CACTVS	3.341	Nc1ncnc2n(cnc12)[CH]3C[CH](CO)C(=O)[CH]3O
SMILES	OpenEye OEToolkits	1.5.0	c1nc(c2c(n1)n(cn2)C3CC(C(=O)C3O)CO)N
Canonical SMILES	CACTVS	3.341	Nc1ncnc2n(cnc12)[C@@H]3C[C@H](CO)C(=O)[C@H]3O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H](C(=O)[C@H]3O)CO)N
InChI	InChI	1.03	InChI=1S/C11H13N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h3-6,9,17,19H,1-2H2,(H2,12,13,14)/t5-,6-,9+/m1/s1
InChIKey	InChI	1.03	CWNCBQJCRSRXGI-KCRUCZTKSA-N

Related Resource References

Resource Name	Reference
PubChem	49866642

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.