RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0136312
RefMet name	dIMP
Systematic name	{[(2R,3S,5R)-3-hydroxy-5-(6-oxo-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acid
Synonyms	PubChem Synonyms
Exact mass	332.052189 (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	C10H13N4O7P	View other entries in RefMet with this formula
Molecular descriptors
Molfile	38934 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C10H13N4O7P/c15-5-1-7(21-6(5)2-20-22(17,18)19)14-4-13-8-9(14)11-3-12-10(8)16/h3-7,15H,1-2H2,(H,11,12,16)(H2,17,18,19)/t5- ,6+,7+/m0/s1
InChIKey	PHNGFPPXDJJADG-RRKCRQDMSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C1[C@@H]([C@@H](COP(=O)(O)O)O[C@H]1n1cnc2c1nc[nH]c2=O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Nucleic acids
Main Class	Purines
Sub Class	Purine dNMP
Distribution of dIMP 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 dIMP
External Links
Pubchem CID	135398614
ChEBI ID	28806
KEGG ID	C06196
HMDB ID	HMDB0006555
Chemspider ID	82650
MetaCyc ID	DIMP
Spectral data for dIMP standards
MassBank(EU)	View MS spectra
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 dIMP

Rxn ID	KEGG Reaction	Enzyme
R03531	dITP + H2O <=> 2'-Deoxyinosine 5'-phosphate + Diphosphate	2'-Deoxyinosine-5'-triphosphate pyrophosphohydrolase
R10235	dIDP + H2O <=> 2'-Deoxyinosine 5'-phosphate + Orthophosphate	deoxyinosine diphosphate phosphatase
R12958	2'-Deoxyinosine 5'-phosphate + H2O <=> Deoxyinosine + Orthophosphate	dIMP phosphohydrolase

Table of KEGG human pathways containing dIMP

Pathway ID	Human Pathway	# of reactions
hsa00230	Purine metabolism	2
hsa01232	Nucleotide metabolism	1