Chemical Components in the PDB

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P4C : Summary

Code

P4C

One-letter code

X

Molecule name

O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL

Synonyms

POLYETHYLENE 400

Systematic names

ProgramVersionName
ACDLabs 10.04 20-hydroxy-3,6,9,12,15,18-hexaoxaicosan-1-al
OpenEye OEToolkits 1.5.0 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanal

Formula

C14 H28 O8

Formal charge

0

Molecular weight

324.367 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=CCOCCOCCOCCOCCOCCOCCO
SMILES CACTVS 3.341 OCCOCCOCCOCCOCCOCCOCC=O
SMILES OpenEye OEToolkits 1.5.0 C(COCCOCCOCCOCCOCCOCC=O)O
Canonical SMILES CACTVS 3.341 OCCOCCOCCOCCOCCOCCOCC=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C(COCCOCCOCCOCCOCCOCC=O)O

IUPAC InChI

InChI=1S/C14H28O8/c15-1-3-17-5-7-19-9-11-21-13-14-22-12-10-20-8-6-18-4-2-16/h1,16H,2-14H2

IUPAC InChI key

CTLLATPOKUEFSQ-UHFFFAOYSA-N
P4C

wwPDB Information

Atom count

50 (22 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

2021-03-01

Status

Released

Obsoleted

Not Assigned