Chemical Components in the PDB

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DPF : Summary

Code

DPF

One-letter code

X

Molecule name

DIETHYL HYDROGEN PHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 10.04 diethyl hydrogen phosphate
OpenEye OEToolkits 1.5.0 diethyl hydrogen phosphate

Formula

C4 H11 O4 P

Formal charge

0

Molecular weight

154.102 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(O)(OCC)OCC
SMILES CACTVS 3.341 CCO[P](O)(=O)OCC
SMILES OpenEye OEToolkits 1.5.0 CCOP(=O)(O)OCC
Canonical SMILES CACTVS 3.341 CCO[P](O)(=O)OCC
Canonical SMILES OpenEye OEToolkits 1.5.0 CCOP(=O)(O)OCC

IUPAC InChI

InChI=1S/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6)

IUPAC InChI key

UCQFCFPECQILOL-UHFFFAOYSA-N
DPF

wwPDB Information

Atom count

20 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-08-30

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned