EQ4

5'-O-[(R)-(2-amino-1H-imidazol-1-yl)(hydroxy)phosphoryl]guanosine

Created:	2018-01-25
Last modified:	2018-05-30

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4 entries where EQ4 is found as a standalone ligand2 entries where EQ4 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	4
Bond Count	49
Aromatic Bond Count	10

2D diagram of EQ4

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Chemical Component Summary
Name	5'-O-[(R)-(2-amino-1H-imidazol-1-yl)(hydroxy)phosphoryl]guanosine
Systematic Name (OpenEye OEToolkits)	(2-azanylimidazol-1-yl)-[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]phosphinic acid
Formula	C₁₃ H₁₇ N₈ O₇ P
Molecular Weight	428.297
Type	RNA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	P(OCC1OC(C(C1O)O)n3c2N=C(NC(c2nc3)=O)N)(O)(=O)n4ccnc4N
SMILES	CACTVS	3.385	NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)n4ccnc4N)[CH](O)[CH]3O
SMILES	OpenEye OEToolkits	2.0.6	c1cn(c(n1)N)P(=O)(O)OCC2C(C(C(O2)n3cnc4c3N=C(NC4=O)N)O)O
Canonical SMILES	CACTVS	3.385	NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)n4ccnc4N)[C@@H](O)[C@H]3O
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cn(c(n1)N)P(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O
InChI	InChI	1.03	InChI=1S/C13H17N8O7P/c14-12-18-9-6(10(24)19-12)17-4-20(9)11-8(23)7(22)5(28-11)3-27-29(25,26)21-2-1-16-13(21)15/h1-2,4-5,7-8,11,22-23H,3H2,(H2,15,16)(H,25,26)(H3,14,18,19,24)/t5-,7-,8-,11-/m1/s1
InChIKey	InChI	1.03	UJFHHYLHXPKINK-IOSLPCCCSA-N

Related Resource References

Resource Name	Reference
PubChem	134129108, 135567408

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