IRN

1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole

Created:	2008-10-03
Last modified:	2011-06-04

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4 entries where IRN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	4
Bond Count	32
Aromatic Bond Count	5

2D diagram of IRN

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Chemical Component Summary
Name	1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole
Systematic Name (OpenEye OEToolkits)	[(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazol-1-yl-oxolan-2-yl]methyl dihydrogen phosphate
Formula	C₈ H₁₃ N₂ O₇ P
Molecular Weight	280.172
Type	RNA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OCC2OC(n1cncc1)C(O)C2O
SMILES	CACTVS	3.341	O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2ccnc2
SMILES	OpenEye OEToolkits	1.5.0	c1cn(cn1)C2C(C(C(O2)COP(=O)(O)O)O)O
Canonical SMILES	CACTVS	3.341	O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)n2ccnc2
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cn(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
InChI	InChI	1.03	InChI=1S/C8H13N2O7P/c11-6-5(3-16-18(13,14)15)17-8(7(6)12)10-2-1-9-4-10/h1-2,4-8,11-12H,3H2,(H2,13,14,15)/t5-,6-,7-,8-/m1/s1
InChIKey	InChI	1.03	YEBULYOZZUNFGU-WCTZXXKLSA-N

Related Resource References

Resource Name	Reference
PubChem	24971460

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