Chemical Components in the PDB

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DW3 : Summary

Code

DW3

One-letter code

X

Molecule name

2-oxidanylethanal

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2-oxidanylethanal

Formula

C2 H4 O2

Formal charge

0

Molecular weight

60.052 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OCC=O
SMILES OpenEye OEToolkits 2.0.7 C(C=O)O
Canonical SMILES CACTVS 3.385 OCC=O
Canonical SMILES OpenEye OEToolkits 2.0.7 C(C=O)O

IUPAC InChI

InChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2

IUPAC InChI key

WGCNASOHLSPBMP-UHFFFAOYSA-N
DW3

wwPDB Information

Atom count

8 (4 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-09-12

Last modified at

2020-07-31

Status

Released

Obsoleted

Not Assigned