RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0018382
RefMet name	dIDP
Systematic name	{[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(6-oxo-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methoxy})phosphoryl]oxy}phosphonic acid
Synonyms	PubChem Synonyms
Exact mass	412.018522 (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	C10H14N4O10P2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	38352 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C10H14N4O10P2/c15-5-1-7(14-4-13-8-9(14)11-3-12-10(8)16)23-6(5)2-22-26(20,21)24-25(17,18)19/h3-7,15H,1-2H2,(H,20,21)(H,11, 12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1
InChIKey	BKUSIKGSPSFQAC-RRKCRQDMSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C1[C@@H]([C@@H](COP(=O)(O)OP(=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 dNDP
Distribution of dIDP 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 dIDP
External Links
Pubchem CID	135398667
ChEBI ID	28823
KEGG ID	C01344
HMDB ID	HMDB0003536
Chemspider ID	388586
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 dIDP

Rxn ID	KEGG Reaction	Enzyme
R03530	ATP + dIDP <=> ADP + dITP	ATP:dIDP phosphotransferase
R10235	dIDP + H2O <=> 2'-Deoxyinosine 5'-phosphate + Orthophosphate	deoxyinosine diphosphate phosphatase

Table of KEGG human pathways containing dIDP

Pathway ID	Human Pathway	# of reactions
hsa00230	Purine metabolism	2