Chemical Components in the PDB

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LKZ : Summary

Code

LKZ

One-letter code

X

Molecule name

3,5,7,9,11-pentakis(oxidanylidene)dodecanal

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 3,5,7,9,11-pentakis(oxidanylidene)dodecanal

Formula

C12 H14 O6

Formal charge

0

Molecular weight

254.236 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC=O
SMILES OpenEye OEToolkits 2.0.7 CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC=O
Canonical SMILES CACTVS 3.385 CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC=O

IUPAC InChI

InChI=1S/C12H14O6/c1-8(14)4-10(16)6-12(18)7-11(17)5-9(15)2-3-13/h3H,2,4-7H2,1H3

IUPAC InChI key

PTGARLKYUIIZKU-UHFFFAOYSA-N
LKZ

wwPDB Information

Atom count

32 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-08-22

Last modified at

2020-05-22

Status

Released

Obsoleted

Not Assigned