Chemical Components in the PDB

pdbe.org/chem
spacer

EDO : Summary

Code

EDO

One-letter code

X

Molecule name

ethane-1,2-diol

Synonyms

ETHYLENE GLYCOL

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 ethane-1,2-diol

Formula

C2 H6 O2

Formal charge

0

Molecular weight

62.068 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OCCO
SMILES OpenEye OEToolkits 2.0.6 C(CO)O
Canonical SMILES CACTVS 3.385 OCCO
Canonical SMILES OpenEye OEToolkits 2.0.6 C(CO)O

IUPAC InChI

InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

IUPAC InChI key

LYCAIKOWRPUZTN-UHFFFAOYSA-N
EDO

wwPDB Information

Atom count

10 (4 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

2018-03-29

Status

Released

Obsoleted

Not Assigned