Chemical Components in the PDB

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EDO : Summary

Code

EDO

One-letter code

X

Molecule name

1,2-ETHANEDIOL

Synonyms

ETHYLENE GLYCOL

Systematic names

ProgramVersionName
ACDLabs 10.04 ethane-1,2-diol
OpenEye OEToolkits 1.5.0 ethane-1,2-diol

Formula

C2 H6 O2

Formal charge

0

Molecular weight

62.068 Da

SMILES

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

2011-06-04

Status

Released

Obsoleted

Not Assigned