GH3

3'-DEOXY-GUANOSINE-5'-TRIPHOSPHATE

Created:	2002-10-24
Last modified:	2011-06-04

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10 entries where GH3 is found as a standalone ligand1 entries where GH3 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	5
Bond Count	49
Aromatic Bond Count	5

2D diagram of GH3

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Chemical Component Summary
Name	3'-DEOXY-GUANOSINE-5'-TRIPHOSPHATE
Systematic Name (OpenEye OEToolkits)	[[(2S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Formula	C₁₀ H₁₆ N₅ O₁₃ P₃
Molecular Weight	507.181
Type	RNA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3
SMILES	CACTVS	3.341	NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)C[CH]3O
SMILES	OpenEye OEToolkits	1.5.0	c1nc2c(n1C3C(CC(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N
Canonical SMILES	CACTVS	3.341	NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)C[C@H]3O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1nc2c(n1[C@H]3[C@@H](C[C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N
InChI	InChI	1.03	InChI=1S/C10H16N5O13P3/c11-10-13-7-6(8(17)14-10)12-3-15(7)9-5(16)1-4(26-9)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-5,9,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,9+/m0/s1
InChIKey	InChI	1.03	QGYIFQKZZSSUCR-OBXARNEKSA-N

Related Resource References

Resource Name	Reference
PubChem	5288389, 148770, 135434165
ChEMBL	CHEMBL480707

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