RefMet Compound Details

MW structure	37675 (View MW Metabolite Database details)
RefMet name	AIR
Alternative name	5-Aminoimidazole ribonucleotide
Systematic name	1-(5-Phospho-D-ribosyl)-5-aminoimidazole
SMILES	c1c(N)n(cn1)[C@H]1[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O1)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	295.056940 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C8H14N3O7P	View other entries in RefMet with this formula
InChI	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	PDACUKOKVHBVHJ-XVFCMESISA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Nucleic acids
Main Class	Imidazoles
Sub Class	Imidazole ribonucleosides and ribonucleotides
Pubchem CID	161500
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving AIR

Rxn ID	KEGG Reaction	Enzyme
R04208	ATP + 2-(Formamido)-N1-(5'-phosphoribosyl)acetamidine <=> ADP + Orthophosphate + Aminoimidazole ribotide	2-(Formamido)-N1-(5-phosphoribosyl)acetamidine cyclo-ligase (ADP-forming)
R04209	1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate <=> Aminoimidazole ribotide + CO2	1-(5-phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate carboxy-lyase

Table of KEGG human pathways containing AIR

Pathway ID	Human Pathway	# of reactions
hsa00230	Purine metabolism	2