8GD

2'-deoxy-8-oxoguanosine 5'-(trihydrogen diphosphate)

Created:	2010-01-09
Last modified:	2021-03-13

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3 entries where 8GD 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	0

2D diagram of 8GD

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Chemical Component Summary
Name	2'-deoxy-8-oxoguanosine 5'-(trihydrogen diphosphate)
Synonyms	8-oxo-7,8-dihydro-2'-deoxy-guanosine-5'-diphosphate
Systematic Name (OpenEye OEToolkits)	[(2R,3S,5R)-5-(2-azanyl-6,8-dioxo-1,7-dihydropurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate
Formula	C₁₀ H₁₅ N₅ O₁₁ P₂
Molecular Weight	443.201
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.352	NC1=NC2=C(NC(=O)N2[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(O)=O)O3)C(=O)N1
SMILES	OpenEye OEToolkits	1.7.0	C1C(C(OC1N2C3=C(C(=O)NC(=N3)N)NC2=O)COP(=O)(O)OP(=O)(O)O)O
Canonical SMILES	CACTVS	3.352	NC1=NC2=C(NC(=O)N2[C@H]3C[C@H](O)[C@@H](CO[P](O)(=O)O[P](O)(O)=O)O3)C(=O)N1
Canonical SMILES	OpenEye OEToolkits	1.7.0	C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O
InChI	InChI	1.03	InChI=1S/C10H15N5O11P2/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(25-5)2-24-28(22,23)26-27(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H,22,23)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1
InChIKey	InChI	1.03	LJMLTZSNWOCYNQ-VPENINKCSA-N

Related Resource References

Resource Name	Reference
PubChem	49835950, 135566401
ChEBI	CHEBI:63728

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