Chemical Components in the PDB

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2PO : Summary

Code

2PO

One-letter code

X

Molecule name

PHOSPHONATE

Systematic names

ProgramVersionName
ACDLabs 10.04 phosphonate

Formula

H O3 P

Formal charge

-2

Molecular weight

79.98 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 [O-]P([O-])=O
SMILES CACTVS 3.341 [O-][PH]([O-])=O
SMILES OpenEye OEToolkits 1.5.0 [O-]P(=O)[O-]
Canonical SMILES CACTVS 3.341 [O-][PH]([O-])=O
Canonical SMILES OpenEye OEToolkits 1.5.0 [O-]P(=O)[O-]

IUPAC InChI

InChI=1S/H3O3P/c1-4(2)3/h4H,(H2,1,2,3)/p-2

IUPAC InChI key

ABLZXFCXXLZCGV-UHFFFAOYSA-L
2PO

wwPDB Information

Atom count

5 (4 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAI

Is modified

No

Standard parent

Not Assigned

Defined at

2003-05-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned