Chemical Components in the PDB

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CHX : Summary

Code

CHX

One-letter code

X

Molecule name

CYCLOHEXANE

Systematic names

ProgramVersionName
ACDLabs 10.04 cyclohexane
OpenEye OEToolkits 1.5.0 cyclohexane

Formula

C6 H12

Formal charge

0

Molecular weight

84.159 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 C1CCCCC1
SMILES CACTVS 3.341 C1CCCCC1
SMILES OpenEye OEToolkits 1.5.0 C1CCCCC1
Canonical SMILES CACTVS 3.341 C1CCCCC1
Canonical SMILES OpenEye OEToolkits 1.5.0 C1CCCCC1

IUPAC InChI

InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2

IUPAC InChI key

XDTMQSROBMDMFD-UHFFFAOYSA-N
CHX

wwPDB Information

Atom count

18 (6 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