Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

CXL : Summary

Code

CXL

One-letter code

X

Molecule name

CYCLOHEXANOL

Systematic names

ProgramVersionName
ACDLabs 10.04 cyclohexanol
OpenEye OEToolkits 1.5.0 cyclohexanol

Formula

C6 H12 O

Formal charge

0

Molecular weight

100.159 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OC1CCCCC1
SMILES CACTVS 3.341 OC1CCCCC1
SMILES OpenEye OEToolkits 1.5.0 C1CCC(CC1)O
Canonical SMILES CACTVS 3.341 OC1CCCCC1
Canonical SMILES OpenEye OEToolkits 1.5.0 C1CCC(CC1)O

IUPAC InChI

InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2

IUPAC InChI key

HPXRVTGHNJAIIH-UHFFFAOYSA-N
CXL

wwPDB Information

Atom count

19 (7 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