Chemical Components in the PDB

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11Z : Summary

Code

11Z

One-letter code

X

Molecule name

11-cyclohexylundecanoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 11-cyclohexylundecanoic acid
OpenEye OEToolkits 1.7.6 11-cyclohexylundecanoic acid

Formula

C17 H32 O2

Formal charge

0

Molecular weight

268.435 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)CCCCCCCCCCC1CCCCC1
SMILES CACTVS 3.385 OC(=O)CCCCCCCCCCC1CCCCC1
SMILES OpenEye OEToolkits 1.7.6 C1CCC(CC1)CCCCCCCCCCC(=O)O
Canonical SMILES CACTVS 3.385 OC(=O)CCCCCCCCCCC1CCCCC1
Canonical SMILES OpenEye OEToolkits 1.7.6 C1CCC(CC1)CCCCCCCCCCC(=O)O

IUPAC InChI

InChI=1S/C17H32O2/c18-17(19)15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h16H,1-15H2,(H,18,19)

IUPAC InChI key

WFTPSUGFEZHCGU-UHFFFAOYSA-N
11Z

wwPDB Information

Atom count

51 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2014-02-13

Last modified at

2014-02-28

Status

Released

Obsoleted

Not Assigned