Chemical Components in the PDB

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POA : Summary

Code

POA

One-letter code

X

Molecule name

PHOSPHONOACETALDEHYDE

Systematic names

ProgramVersionName
ACDLabs 10.04 (2-oxoethyl)phosphonic acid
OpenEye OEToolkits 1.5.0 2-oxoethylphosphonic acid

Formula

C2 H5 O4 P

Formal charge

0

Molecular weight

124.032 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=CCP(=O)(O)O
SMILES CACTVS 3.341 O[P](O)(=O)CC=O
SMILES OpenEye OEToolkits 1.5.0 C(C=O)P(=O)(O)O
Canonical SMILES CACTVS 3.341 O[P](O)(=O)CC=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C(C=O)P(=O)(O)O

IUPAC InChI

InChI=1S/C2H5O4P/c3-1-2-7(4,5)6/h1H,2H2,(H2,4,5,6)

IUPAC InChI key

YEMKIGUKNDOZEG-UHFFFAOYSA-N
POA

wwPDB Information

Atom count

12 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2002-07-12

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned