Chemical Components in the PDB

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CO3 : Summary

Code

CO3

One-letter code

X

Molecule name

CARBONATE ION

Systematic names

ProgramVersionName
ACDLabs 10.04 carbonate
OpenEye OEToolkits 1.5.0 carbonate

Formula

C O3

Formal charge

-2

Molecular weight

60.009 Da

SMILES

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

IUPAC InChI

InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2

IUPAC InChI key

BVKZGUZCCUSVTD-UHFFFAOYSA-L
CO3

wwPDB Information

Atom count

4 (4 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