RefMet Compound Details

RefMet IDRM0043289
MW structure49834 (View MW Metabolite Database details)
RefMet nameIDP   Species distribution   Sample source distribution
Systematic name[(2R,3S,4R,5R)-3,4-bis(oxidanyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate
SMILESC([C@@H]1[C@H]([C@H]([C@H](n2cnc3c2[nH]cnc3=O)O1)O)O)OP(=O)(O)OP(=O)(O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass428.013437 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC10H14N4O11P2View other entries in RefMet with this formula
InChIInChI=1S/C10H14N4O11P2/c15-6-4(1-23-27(21,22)25-26(18,19)20)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,2
1,22)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyJPXZQMKKFWMMGK-KQYNXXCUSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassNucleic acids
Main ClassPurines
Sub ClassPurine rNDP
Pubchem CID135398651
ChEBI ID17808
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving IDP

Rxn IDKEGG ReactionEnzyme
R00719 ITP + H2O <=> IDP + OrthophosphateITP phosphohydrolase
R00722 ATP + IDP <=> ADP + ITPATP:IDP phosphotransferase
R00961 IDP + H2O <=> IMP + OrthophosphateIDP phosphohydrolase

Table of KEGG human pathways containing IDP

Pathway IDHuman Pathway# of reactions
hsa00230 Purine metabolism 3
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