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Summary Geometry Related PDB entries

9O4

Summary

Name:	(3R,5R)-5-(6-amino-9H-purin-9-yl)oxolan-3-yl dihydrogen phosphate
Formula:	C9 H12 N5 O5 P
Formal charge:	0
Formula weight:	301.196 Da
Component type:	DNA linking

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(3R,5R)-5-(6-amino-9H-purin-9-yl)oxolan-3-yl dihydrogen phosphate
OpenEye OEToolkits	2.0.6	[(3~{R},5~{R})-5-(6-aminopurin-9-yl)oxolan-3-yl] dihydrogen phosphate

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c3nc1c(ncn1C2CC(OP(O)(=O)O)CO2)c(N)n3
InChI	InChI	1.03	InChI=1S/C9H12N5O5P/c10-8-7-9(12-3-11-8)14(4-13-7)6-1-5(2-18-6)19-20(15,16)17/h3-6H,1-2H2,(H2,10,11,12)(H2,15,16,17)/t5-,6-/m1/s1
InChIKey	InChI	1.03	SRZMSIWIQAVZRP-PHDIDXHHSA-N
SMILES_CANONICAL	CACTVS	3.385	Nc1ncnc2n(cnc12)[C@H]3C[C@H](CO3)O[P](O)(O)=O
SMILES	CACTVS	3.385	Nc1ncnc2n(cnc12)[CH]3C[CH](CO3)O[P](O)(O)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	c1nc(c2c(n1)n(cn2)[C@H]3C[C@H](CO3)OP(=O)(O)O)N
SMILES	OpenEye OEToolkits	2.0.6	c1nc(c2c(n1)n(cn2)C3CC(CO3)OP(=O)(O)O)N

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