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PPV : Summary
Code
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PPV
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One-letter code
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X
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Molecule name
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PYROPHOSPHATE
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Systematic names
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Formula
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H4 O7 P2
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Formal charge
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0
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Molecular weight
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177.975 Da
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SMILES
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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 |
|
IUPAC InChI | InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6) |
IUPAC InChI key | XPPKVPWEQAFLFU-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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13 (9 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2004-11-10
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Last modified at
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2011-06-04
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Status
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Released
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Obsoleted
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Not Assigned
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