Chemical Components in the PDB

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PO4 : Summary

Code

PO4

One-letter code

X

Molecule name

PHOSPHATE ION

Systematic names

ProgramVersionName
ACDLabs 10.04 phosphate
OpenEye OEToolkits 1.5.0 phosphate

Formula

O4 P

Formal charge

-3

Molecular weight

94.971 Da

SMILES

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

IUPAC InChI

InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3

IUPAC InChI key

NBIIXXVUZAFLBC-UHFFFAOYSA-K
PO4

wwPDB Information

Atom count

5 (5 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAI

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned