RefMet Compound Details

MW structure71530 (View MW Metabolite Database details)
RefMet namePyrophosphate
Systematic namedisodium;[hydroxy(oxido)phosphoryl] hydrogen phosphate
SMILES[Na+].[Na+].OP(=O)([O-])OP(=O)(O)[O-]   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass221.907121 (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
FormulaH2Na2O7P2View other entries in RefMet with this formula
InChIInChI=1S/2Na.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+1;/p-2
InChIKeyGYQBBRRVRKFJRG-UHFFFAOYSA-LView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassUnclassified
Main ClassUnclassified
Sub ClassUnclassified
Pubchem CID24451
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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