Chemical Components in the PDB

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POP : Summary

Code

POP

One-letter code

X

Molecule name

PYROPHOSPHATE 2-

Systematic names

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

Formula

H2 O7 P2

Formal charge

-2

Molecular weight

175.959 Da

SMILES

TypeProgramVersionDescriptor
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 O[P@@](=O)([O-])O[P@@](=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)/p-2

IUPAC InChI key

XPPKVPWEQAFLFU-UHFFFAOYSA-L
POP

wwPDB Information

Atom count

11 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned