Chemical Components in the PDB

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PL3 : Summary

Code

PL3

One-letter code

X

Molecule name

HEXADECAN-1-OL

Systematic names

ProgramVersionName
ACDLabs 10.04 hexadecan-1-ol
OpenEye OEToolkits 1.5.0 hexadecan-1-ol

Formula

C16 H34 O

Formal charge

0

Molecular weight

242.441 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OCCCCCCCCCCCCCCCC
SMILES CACTVS 3.341 CCCCCCCCCCCCCCCCO
SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCCCCCCCO
Canonical SMILES CACTVS 3.341 CCCCCCCCCCCCCCCCO
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCCCCCCCO

IUPAC InChI

InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3

IUPAC InChI key

BXWNKGSJHAJOGX-UHFFFAOYSA-N
PL3

wwPDB Information

Atom count

51 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-03-07

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned