RefMet Compound Details

MW structure37124 (View MW Metabolite Database details)
RefMet nameITP
Systematic name({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-hydroxy-9H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
SMILESC([C@@H]1[C@H]([C@H]([C@H](n2cnc3c2nc[nH]c3=O)O1)O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass507.979770 (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
FormulaC10H15N4O14P3View other entries in RefMet with this formula
InChIKeyHAEJPQIATWHALX-KQYNXXCUSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassNucleic acids
Main ClassPurines
Sub ClassPurine rNTP
Pubchem CID135398643
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving ITP

Rxn IDKEGG ReactionEnzyme
R00722 ATP + IDP <=> ADP + ITPATP:IDP phosphotransferase
R00720 ITP + H2O <=> IMP + DiphosphateInosine 5'-triphosphate pyrophosphohydrolase
R00719 ITP + H2O <=> IDP + OrthophosphateITP phosphohydrolase

Table of KEGG human pathways containing ITP

Pathway IDHuman Pathway# of reactions
hsa00230 Purine metabolism 3