Chemical Components in the PDB

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EOH : Summary

Code

EOH

One-letter code

X

Molecule name

ETHANOL

Systematic names

ProgramVersionName
ACDLabs 11.02 ethanol
OpenEye OEToolkits 1.6.1 ethanol

Formula

C2 H6 O

Formal charge

0

Molecular weight

46.068 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 11.02 OCC
SMILES CACTVS 3.352 CCO
SMILES OpenEye OEToolkits 1.7.0 CCO
Canonical SMILES CACTVS 3.352 CCO
Canonical SMILES OpenEye OEToolkits 1.7.0 CCO

IUPAC InChI

InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3

IUPAC InChI key

LFQSCWFLJHTTHZ-UHFFFAOYSA-N

Is part of

0HW
EOH

wwPDB Information

Atom count

9 (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