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- ChemComp-POP: PYROPHOSPHATE 2- -

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Basic information

EntryDatabase: PDB chemical components / ID: POP
NameName: pyrophosphate 2-

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Chemical information

Composition
Formula: H2O7P2 / Number of atoms: 11 / Formula weight: 175.959 / Formal charge: -2
Others

2nsy

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: POP / Model coordinates PDB-ID: 2NSY
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / ChEBI / CompTox / Metabolights / PubChem / SureChEMBL / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04[O-]P(=O)(O)OP([O-])(=O)O
CACTVS 3.341O[P]([O-])(=O)O[P](O)([O-])=O
OpenEye OEToolkits 1.5.0OP(=O)([O-])OP(=O)(O)[O-]

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SMILES CANONICAL

CACTVS 3.341O[P]([O-])(=O)O[P](O)([O-])=O
OpenEye OEToolkits 1.5.0O[P@@](=O)([O-])O[P@@](=O)(O)[O-]

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InChI

InChI 1.03InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2

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InChIKey

InChI 1.03XPPKVPWEQAFLFU-UHFFFAOYSA-L

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SYSTEMATIC NAME

ACDLabs 10.04dihydrogen diphosphate
OpenEye OEToolkits 1.5.0(hydroxy-oxido-phosphoryl) hydrogen phosphate

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