Chemical Components in the PDB

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2EH : Summary

Code

2EH

One-letter code

X

Molecule name

(2S)-2-ethylhexan-1-ol

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.6.1 (2S)-2-ethylhexan-1-ol

Formula

C8 H18 O

Formal charge

0

Molecular weight

130.228 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.352 CCCC[CH](CC)CO
SMILES OpenEye OEToolkits 1.7.0 CCCCC(CC)CO
Canonical SMILES CACTVS 3.352 CCCC[C@H](CC)CO
Canonical SMILES OpenEye OEToolkits 1.7.0 CCCC[C@H](CC)CO

IUPAC InChI

InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3/t8-/m0/s1

IUPAC InChI key

YIWUKEYIRIRTPP-QMMMGPOBSA-N
2EH

wwPDB Information

Atom count

27 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-11-05

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned