Chemical Components in the PDB

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RXK : Summary

Code

RXK

One-letter code

X

Molecule name

cyclohexanecarboxylic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 cyclohexanecarboxylic acid

Formula

C7 H12 O2

Formal charge

0

Molecular weight

128.169 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC(=O)C1CCCCC1
SMILES OpenEye OEToolkits 2.0.7 C1CCC(CC1)C(=O)O
Canonical SMILES CACTVS 3.385 OC(=O)C1CCCCC1
Canonical SMILES OpenEye OEToolkits 2.0.7 C1CCC(CC1)C(=O)O

IUPAC InChI

InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)

IUPAC InChI key

NZNMSOFKMUBTKW-UHFFFAOYSA-N
RXK

wwPDB Information

Atom count

21 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-10-30

Last modified at

2021-02-26

Status

Released

Obsoleted

Not Assigned