8DG

8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE

Created:	2004-12-16
Last modified:	2011-06-04

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45 entries where 8DG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	5
Bond Count	50
Aromatic Bond Count	0

2D diagram of 8DG

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Chemical Component Summary
Name	8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE
Systematic Name (OpenEye OEToolkits)	[[(2R,3S,5R)-5-(2-amino-6,8-dioxo-1,7-dihydropurin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Formula	C₁₀ H₁₆ N₅ O₁₄ P₃
Molecular Weight	523.18
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(N2C(=O)NC1=C2N=C(N)NC1=O)CC3O
SMILES	CACTVS	3.341	NC1=NC2=C(NC(=O)N2[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3)C(=O)N1
SMILES	OpenEye OEToolkits	1.5.0	C1C(C(OC1N2C3=C(C(=O)NC(=N3)N)NC2=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
Canonical SMILES	CACTVS	3.341	NC1=NC2=C(NC(=O)N2[C@H]3C[C@H](O)[C@@H](CO[P@](O)(=O)O[P@](O)(=O)O[P](O)(O)=O)O3)C(=O)N1
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O
InChI	InChI	1.03	InChI=1S/C10H16N5O14P3/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(27-5)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1
InChIKey	InChI	1.03	BUZOGVVQWCXXDP-VPENINKCSA-N

Related Resource References

Resource Name	Reference
PubChem	5287558, 107902, 135398565
ChEBI	CHEBI:63220

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