GGH

2'-DEOXY-5'-O-(HYDROXY{[HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]OXY}PHOSPHORYL)GUANOSINE

Created:	2006-10-26
Last modified:	2011-06-04

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3 entries where GGH is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	49
Chiral Atom Count	5
Bond Count	51
Aromatic Bond Count	5

2D diagram of GGH

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Chemical Component Summary
Name	2'-DEOXY-5'-O-(HYDROXY{[HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]OXY}PHOSPHORYL)GUANOSINE
Systematic Name (OpenEye OEToolkits)	[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]methylphosphonic acid
Formula	C₁₁ H₁₈ N₅ O₁₂ P₃
Molecular Weight	505.208
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)CP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O
SMILES	CACTVS	3.341	NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)O3
SMILES	OpenEye OEToolkits	1.5.0	c1nc2c(n1C3CC(C(O3)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O)N=C(NC2=O)N
Canonical SMILES	CACTVS	3.341	NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)C[P](O)(O)=O)O3
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)N=C(NC2=O)N
InChI	InChI	1.03	InChI=1S/C11H18N5O12P3/c12-11-14-9-8(10(18)15-11)13-3-16(9)7-1-5(17)6(27-7)2-26-31(24,25)28-30(22,23)4-29(19,20)21/h3,5-7,17H,1-2,4H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,12,14,15,18)/t5-,6+,7+/m0/s1
InChIKey	InChI	1.03	QEUKZZGYDFTBEI-RRKCRQDMSA-N

Related Resource References

Resource Name	Reference
PubChem	15942679, 135566284
ChEBI	CHEBI:42775

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.