Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

Explore the latest updates on our new PDBe-KB ligand pages, now with PDBeChem functionality and many more features.

HZA : Summary

Code

HZA

One-letter code

X

Molecule name

2,5,8,11,14,17,20,23,26-nonaoxaoctacosane

Systematic names

ProgramVersionName
ACDLabs 12.01 2,5,8,11,14,17,20,23,26-nonaoxaoctacosane
OpenEye OEToolkits 2.0.6 1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxy-ethane

Formula

C19 H40 O9

Formal charge

0

Molecular weight

412.516 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 CCOCCOCCOCCOCCOCCOCCOCCOCCOC
SMILES CACTVS 3.385 CCOCCOCCOCCOCCOCCOCCOCCOCCOC
SMILES OpenEye OEToolkits 2.0.6 CCOCCOCCOCCOCCOCCOCCOCCOCCOC
Canonical SMILES CACTVS 3.385 CCOCCOCCOCCOCCOCCOCCOCCOCCOC
Canonical SMILES OpenEye OEToolkits 2.0.6 CCOCCOCCOCCOCCOCCOCCOCCOCCOC

IUPAC InChI

InChI=1S/C19H40O9/c1-3-21-6-7-23-10-11-25-14-15-27-18-19-28-17-16-26-13-12-24-9-8-22-5-4-20-2/h3-19H2,1-2H3

IUPAC InChI key

UGOLRRAKQMSITE-UHFFFAOYSA-N
HZA

wwPDB Information

Atom count

68 (28 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-07-30

Last modified at

2024-03-15

Status

Released

Obsoleted

Not Assigned