Chemical Components in the PDB

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CO2 : Summary

Code

CO2

One-letter code

X

Molecule name

CARBON DIOXIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 dioxomethane
OpenEye OEToolkits 1.5.0 carbon dioxide

Formula

C O2

Formal charge

0

Molecular weight

44.01 Da

SMILES

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

IUPAC InChI

InChI=1S/CO2/c2-1-3

IUPAC InChI key

CURLTUGMZLYLDI-UHFFFAOYSA-N
CO2

wwPDB Information

Atom count

3 (3 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned