RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0037543
RefMet name	Pyrophosphate
Systematic name	disodium;[hydroxy(oxido)phosphoryl] hydrogen phosphate
Synonyms	PubChem Synonyms
Exact mass	221.907121 (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	H2Na2O7P2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	71530 (Download molfile/View MW Metabolite Database details)
InChI	InChI=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
InChIKey	GYQBBRRVRKFJRG-UHFFFAOYSA-L	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	[Na+].[Na+].OP(=O)([O-])OP(=O)(O)[O-] Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Inorganic compounds
Main Class	Phosphorus inorganic compounds
Sub Class	Phosphates
Distribution of Pyrophosphate 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 Pyrophosphate
External Links
Pubchem CID	24451
ChEBI ID	18361
KEGG ID	C00013
HMDB ID	HMDB0303490
Spectral data for Pyrophosphate standards
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)