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Summary Geometry Related PDB entries

ARJ

Summary

Name:	(2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentanone
Synonyms:	3'-keto-aristeromycin
Formula:	C11 H13 N5 O3
Formal charge:	0
Formula weight:	263.253 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	(2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentanone
OpenEye OEToolkits	1.5.0	(2S,3R,5R)-3-(6-aminopurin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentan-1-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C3C(O)C(n1c2ncnc(c2nc1)N)CC3CO
SMILES_CANONICAL	CACTVS	3.341	Nc1ncnc2n(cnc12)[C@@H]3C[C@H](CO)C(=O)[C@H]3O
SMILES	CACTVS	3.341	Nc1ncnc2n(cnc12)[CH]3C[CH](CO)C(=O)[CH]3O
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H](C(=O)[C@H]3O)CO)N
SMILES	OpenEye OEToolkits	1.5.0	c1nc(c2c(n1)n(cn2)C3CC(C(=O)C3O)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

222415

PDB entries from 2024-07-10

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