RefMet Compound Details

MW structure	37117 (View MW Metabolite Database details)
RefMet name	IMP
Systematic name	{[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-6,9-dihydro-1H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acid
SMILES	C([C@@H]1[C@H]([C@H]([C@H](n2cnc3c2nc[nH]c3=O)O1)O)O)OP(=O)(O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	348.047104 (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	C10H13N4O8P	View other entries in RefMet with this formula
InChI	InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18 ,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey	GRSZFWQUAKGDAV-KQYNXXCUSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Nucleic acids
Main Class	Purines
Sub Class	Purine rNMP
Pubchem CID	135398640
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving IMP

Rxn ID	KEGG Reaction	Enzyme
R01128	IMP + H2O <=> Hypoxanthine + D-Ribose 5-phosphate	5'-Inosinate phosphoribohydrolase
R01127	IMP + H2O <=> 1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide	IMP 1,2-hydrolase (decyclizing)
R01134	IMP + Ammonia + NADP+ <=> GMP + NADPH + H+	inosine-5'-phosphate:NADP+ oxidoreductase (aminating)
R01132	IMP + Diphosphate <=> Hypoxanthine + 5-Phospho-alpha-D-ribose 1-diphosphate	IMP:diphosphate phospho-D-ribosyltransferase
R00720	ITP + H2O <=> IMP + Diphosphate	Inosine 5'-triphosphate pyrophosphohydrolase
R00181	AMP + H2O <=> IMP + Ammonia	AMP aminohydrolase
R01135	GTP + IMP + L-Aspartate <=> GDP + Orthophosphate + N6-(1,2-Dicarboxyethyl)-AMP	IMP:L-aspartate ligase (GDP-forming)
R01126	IMP + H2O <=> Inosine + Orthophosphate	inosine 5'-monophosphate phosphohydrolase
R01131	ATP + Inosine <=> ADP + IMP	ATP:inosine 5'-phosphotransferase
R00961	IDP + H2O <=> IMP + Orthophosphate	IDP phosphohydrolase
R01130	IMP + NAD+ + H2O <=> Xanthosine 5'-phosphate + NADH + H+	IMP:NAD+ oxidoreductase

Table of KEGG human pathways containing IMP

Pathway ID	Human Pathway	# of reactions
hsa00230	Purine metabolism	9
hsa00250	Alanine, aspartate and glutamate metabolism	1
hsa01100	Metabolic pathways	1