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Summary Geometry Related PDB entries

7CY

Summary

Name:	(1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
Synonyms:	Aristeromycin
Formula:	C11 H15 N5 O3
Formal charge:	0
Formula weight:	265.269 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
OpenEye OEToolkits	2.0.6	(1~{R},2~{S},3~{R},5~{R})-3-(6-aminopurin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1cnc2c(c1N)ncn2C3C(O)C(C(C3)CO)O
InChI	InChI	1.03	InChI=1S/C11H15N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h3-6,8-9,17-19H,1-2H2,(H2,12,13,14)/t5-,6-,8-,9+/m1/s1
InChIKey	InChI	1.03	UGRNVLGKAGREKS-GCXDCGAKSA-N
SMILES_CANONICAL	CACTVS	3.385	Nc1ncnc2n(cnc12)[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O
SMILES	CACTVS	3.385	Nc1ncnc2n(cnc12)[CH]3C[CH](CO)[CH](O)[CH]3O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)CO)N
SMILES	OpenEye OEToolkits	2.0.6	c1nc(c2c(n1)n(cn2)C3CC(C(C3O)O)CO)N

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