AIR

5-AMINOIMIDAZOLE RIBONUCLEOTIDE

Created:	1999-10-21
Last modified:	2024-09-27

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

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	4
Bond Count	34
Aromatic Bond Count	5

2D diagram of AIR

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Chemical Component Summary
Name	5-AMINOIMIDAZOLE RIBONUCLEOTIDE
Systematic Name (OpenEye OEToolkits)	[(2R,3S,4R,5R)-5-(5-aminoimidazol-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
Formula	C₈ H₁₄ N₃ O₇ P
Molecular Weight	295.186
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OCC2OC(n1cncc1N)C(O)C2O
SMILES	CACTVS	3.341	Nc1cncn1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
SMILES	OpenEye OEToolkits	1.5.0	c1c(n(cn1)C2C(C(C(O2)COP(=O)(O)O)O)O)N
Canonical SMILES	CACTVS	3.341	Nc1cncn1[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1c(n(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N
InChI	InChI	1.03	InChI=1S/C8H14N3O7P/c9-5-1-10-3-11(5)8-7(13)6(12)4(18-8)2-17-19(14,15)16/h1,3-4,6-8,12-13H,2,9H2,(H2,14,15,16)/t4-,6-,7-,8-/m1/s1
InChIKey	InChI	1.03	PDACUKOKVHBVHJ-XVFCMESISA-N

Related Resource References

Resource Name	Reference
PubChem	161500
ChEMBL	CHEMBL1230914
ChEBI	CHEBI:138560

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