MGV

P-FLUORO-7-BENZYL GUANINE MONOPHOSPHATE

Created:	2007-08-16
Last modified:	2011-06-04

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1 entries where MGV is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	52
Chiral Atom Count	4
Bond Count	55
Aromatic Bond Count	11

2D diagram of MGV

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Chemical Component Summary
Name	P-FLUORO-7-BENZYL GUANINE MONOPHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(2R,3S,4R,5R)-5-[2-amino-7-[(4-fluorophenyl)methyl]-6-oxo-1H-purin-7-ium-9-yl]-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
Formula	C₁₇ H₂₀ F N₅ O₈ P
Molecular Weight	472.342
Type	RNA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Fc1ccc(cc1)C[n+]3c2c(N=C(N)NC2=O)n(c3)C4OC(C(O)C4O)COP(=O)(O)O
SMILES	CACTVS	3.341	NC1=Nc2n(c[n+](Cc3ccc(F)cc3)c2C(=O)N1)[CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH]4O
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1C[n+]2cn(c3c2C(=O)NC(=N3)N)C4C(C(C(O4)COP(=O)(O)O)O)O)F
Canonical SMILES	CACTVS	3.341	NC1=Nc2n(c[n+](Cc3ccc(F)cc3)c2C(=O)N1)[C@@H]4O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]4O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)F
InChI	InChI	1.03	InChI=1S/C17H19FN5O8P/c18-9-3-1-8(2-4-9)5-22-7-23(14-11(22)15(26)21-17(19)20-14)16-13(25)12(24)10(31-16)6-30-32(27,28)29/h1-4,7,10,12-13,16,24-25H,5-6H2,(H4-,19,20,21,26,27,28,29)/p+1/t10-,12-,13-,16-/m1/s1
InChIKey	InChI	1.03	VLABRVWLURSKLS-XNIJJKJLSA-O

Related Resource References

Resource Name	Reference
PubChem	135566347, 16750127

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