9O7

[(3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-3-yl] [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate

Created:	2017-05-19
Last modified:	2017-12-06

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2 entries where 9O7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	3
Bond Count	45
Aromatic Bond Count	10

2D diagram of 9O7

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Chemical Component Summary
Name	[(3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-3-yl] [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate
Systematic Name (OpenEye OEToolkits)	[(3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-3-yl] [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate
Formula	C₉ H₁₄ N₅ O₁₂ P₃
Molecular Weight	477.155
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1ncnc2n(cnc12)[CH]3OC[CH](O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH]3O
SMILES	OpenEye OEToolkits	2.0.6	c1nc(c2c(n1)n(cn2)C3C(C(CO3)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N
Canonical SMILES	CACTVS	3.385	Nc1ncnc2n(cnc12)[C@@H]3OC[C@H](O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@H]3O
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](CO3)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N
InChI	InChI	1.03	InChI=1S/C9H14N5O12P3/c10-7-5-8(12-2-11-7)14(3-13-5)9-6(15)4(1-23-9)24-28(19,20)26-29(21,22)25-27(16,17)18/h2-4,6,9,15H,1H2,(H,19,20)(H,21,22)(H2,10,11,12)(H2,16,17,18)/t4-,6+,9+/m0/s1
InChIKey	InChI	1.03	AWDFERYZHFHVNT-AFEQZKEHSA-N

Related Resource References

Resource Name	Reference
PubChem	71562262

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.