Chemical Components in the PDB

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CXE : Summary

Code

CXE

One-letter code

X

Molecule name

PENTAETHYLENE GLYCOL MONODECYL ETHER

Systematic names

ProgramVersionName
ACDLabs 10.04 3,6,9,12,15-pentaoxapentacosan-1-ol
OpenEye OEToolkits 1.5.0 2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol

Formula

C20 H42 O6

Formal charge

0

Molecular weight

378.544 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O(CCO)CCOCCOCCOCCOCCCCCCCCCC
SMILES CACTVS 3.341 CCCCCCCCCCOCCOCCOCCOCCOCCO
SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCOCCOCCOCCOCCOCCO
Canonical SMILES CACTVS 3.341 CCCCCCCCCCOCCOCCOCCOCCOCCO
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCOCCOCCOCCOCCOCCO

IUPAC InChI

InChI=1S/C20H42O6/c1-2-3-4-5-6-7-8-9-11-22-13-15-24-17-19-26-20-18-25-16-14-23-12-10-21/h21H,2-20H2,1H3

IUPAC InChI key

QAXPOSPGRHYIHE-UHFFFAOYSA-N
CXE

wwPDB Information

Atom count

68 (26 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-05-02

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned