RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0157848
RefMet name	AIR
Alternative name	5-Aminoimidazole ribonucleotide
Systematic name	1-(5-Phospho-D-ribosyl)-5-aminoimidazole
Synonyms	PubChem Synonyms
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
Molecular descriptors
Molfile	37675 (Download molfile/View MW Metabolite Database details)
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
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)
Chemical/Biochemical Classification
Super Class	Nucleic acids
Main Class	Imidazoles
Sub Class	Imidazole ribonucleosides and ribonucleotides
Distribution of AIR in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting AIR
External Links
Pubchem CID	161500
ChEBI ID	138560
KEGG ID	C03373
HMDB ID	HMDB0001235
Chemspider ID	141854
MetaCyc ID	5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE
Structural annotation level
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