Chemical Components in the PDB

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GXT : Summary

Code

GXT

One-letter code

X

Molecule name

ethanedial

Systematic names

ProgramVersionName
ACDLabs 12.01 ethanedial
OpenEye OEToolkits 1.7.6 ethanedial

Formula

C2 H2 O2

Formal charge

0

Molecular weight

58.036 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=CC=O
SMILES CACTVS 3.385 O=CC=O
SMILES OpenEye OEToolkits 1.7.6 C(=O)C=O
Canonical SMILES CACTVS 3.385 O=CC=O
Canonical SMILES OpenEye OEToolkits 1.7.6 C(=O)C=O

IUPAC InChI

InChI=1S/C2H2O2/c3-1-2-4/h1-2H

IUPAC InChI key

LEQAOMBKQFMDFZ-UHFFFAOYSA-N
GXT

wwPDB Information

Atom count

6 (4 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2014-01-16

Last modified at

2014-03-28

Status

Released

Obsoleted

Not Assigned