PPV

PYROPHOSPHATE

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

Find Related PDB Entry
178 entries where PPV is found as a standalone ligand4 entries where PPV is covalently linked to polymer or other heterogen groups

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	13
Chiral Atom Count	0
Bond Count	12
Aromatic Bond Count	0

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	PYROPHOSPHATE
Systematic Name (OpenEye OEToolkits)	phosphono dihydrogen phosphate
Formula	H₄ O₇ P₂
Molecular Weight	177.975
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OP(=O)(O)O
SMILES	CACTVS	3.341	O[P](O)(=O)O[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.5.0	OP(=O)(O)OP(=O)(O)O
Canonical SMILES	CACTVS	3.341	O[P](O)(=O)O[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	OP(=O)(O)OP(=O)(O)O
InChI	InChI	1.03	InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)
InChIKey	InChI	1.03	XPPKVPWEQAFLFU-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04160
Name	Pyrophosphoric acid
Groups	approved experimental
Synonyms	Pyrophosphoric acid Sodium pyrophosphate Pyrophosphorsäure Diphosphoric acid acide diphosphorique Diphosphorsäure Sodium pyrophosphate decahydrate
Brand Names	Mastikis Qingjie Shine Mastic Nlihome Dental Care Onetooth Clinic Tooth Dr.chois Toothpaste Care Plus Onetoothclinic Tooth Dr.chois Toothpaste Fresh Dr.chois Toothpaste Care Toosty Rucola Toothpaste Phosphotec Pyrophosphate V34 Colour Corrector Dr.DADDYS Junior Toothpaste(Mint flavor) Mastikis Qingxin Care Mastic Mastikids II Technescan PYP Dr. DADDYS Kids Tooth Dr. DADDYS Tooth Vontee Mastikis Gold II Mimibo Premium Tooth Quantumtoothcare Tooth Oral Projeqt O1 Toothpastetablets Exoden All In One Innoble ONECHEWTOOTHPASTE Dr. DADDYS GumToothpaste Dr. DADDYS Junior Toothpaste(Green grape) Dr.NOAH SOLIDTOOTHPASTE Dr. DADDYS Kids Toothpaste(Raspberry flavor)
Categories	Acids Acids, Noncarboxylic Anions Electrolytes Ions Phosphate salts Phosphoric Acids Phosphorus Acids Phosphorus Compounds Polyphosphates
CAS number	2466-09-3

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Farnesyl pyrophosphate synthase	MPLSRWLRSVGVFLLPAPYWAPRERWLGSLRRPSLVHGYPVLAWHSARCW...	unknown	inhibitor
Farnesyl diphosphate synthase	MDFPQQLEACVKQANQALSRFIAPLPFQNTPVVETMQYGALLGGKRLRPF...	unknown	modulator

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