Chemical Components in the PDB

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PON : Summary

Code

PON

One-letter code

X

Molecule name

IMIDO DIPHOSPHATE

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.5.0 (hydroxy-oxido-phosphinimyl) hydrogen phosphate

Formula

H3 N O6 P2

Formal charge

-2

Molecular weight

174.974 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.341 O[P]([O-])(=N)O[P](O)([O-])=O
SMILES OpenEye OEToolkits 1.5.0 N=P(O)([O-])OP(=O)(O)[O-]
Canonical SMILES CACTVS 3.341 O[P@@]([O-])(=N)O[P](O)([O-])=O
Canonical SMILES OpenEye OEToolkits 1.5.0 N=[P@@](O)([O-])O[P@](=O)(O)[O-]

IUPAC InChI

InChI=1S/H4NO6P2/c1-8(2,3)7-9(4,5)6/h(H4-,1,2,3,4,5,6)/q-1/p-1

IUPAC InChI key

VYBCVOULKDXKCH-UHFFFAOYSA-M
PON

wwPDB Information

Atom count

12 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-08-04

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned