PPV

PYROPHOSPHATE

Created:2004-11-10
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count13
Chiral Atom Count0
Bond Count12
Aromatic Bond Count0
2D diagram of PPV

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Chemical Component Summary

NamePYROPHOSPHATE
Systematic Name (OpenEye OEToolkits)phosphono dihydrogen phosphate
FormulaH4 O7 P2
Molecular Weight177.975
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(O)(O)OP(=O)(O)O
SMILESCACTVS3.341O[P](O)(=O)O[P](O)(O)=O
SMILESOpenEye OEToolkits1.5.0OP(=O)(O)OP(=O)(O)O
Canonical SMILESCACTVS3.341 O[P](O)(=O)O[P](O)(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 OP(=O)(O)OP(=O)(O)O
InChIInChI1.03 InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)
InChIKeyInChI1.03 XPPKVPWEQAFLFU-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB04160 
NamePyrophosphoric acid
Groups
  • experimental
  • approved
Synonyms
  • Sodium pyrophosphate decahydrate
  • Sodium pyrophosphate
  • acide diphosphorique
  • Pyrophosphorsäure
  • Diphosphoric acid
Brand Names
  • Dr. DADDYS Tooth
  • Mastikids II
  • Dr.chois Toothpaste Fresh
  • Quantumtoothcare Tooth
  • Mimibo Premium Tooth
Categories
  • Acids
  • Acids, Noncarboxylic
  • Anions
  • Electrolytes
  • Ions
CAS number2466-09-3

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Farnesyl pyrophosphate synthaseMPLSRWLRSVGVFLLPAPYWAPRERWLGSLRRPSLVHGYPVLAWHSARCW...unknowninhibitor
Farnesyl diphosphate synthaseMDFPQQLEACVKQANQALSRFIAPLPFQNTPVVETMQYGALLGGKRLRPF...unknownmodulator
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 21961011, 1023
ChEMBL CHEMBL1160571
ChEBI CHEBI:29888