Chemical Components in the PDB

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HSF : Summary

Code

HSF

One-letter code

X

Molecule name

1-HEXADECYLSULFONYL FLUORIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 hexadecane-1-sulfonyl fluoride
OpenEye OEToolkits 1.5.0 hexadecane-1-sulfonyl fluoride

Formula

C16 H33 F O2 S

Formal charge

0

Molecular weight

308.495 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 FS(=O)(=O)CCCCCCCCCCCCCCCC
SMILES CACTVS 3.341 CCCCCCCCCCCCCCCC[S](F)(=O)=O
SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCCCCCCCS(=O)(=O)F
Canonical SMILES CACTVS 3.341 CCCCCCCCCCCCCCCC[S](F)(=O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCCCCCCCS(=O)(=O)F

IUPAC InChI

InChI=1S/C16H33FO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3

IUPAC InChI key

QIVFMUVBIHIZAM-UHFFFAOYSA-N
HSF

wwPDB Information

Atom count

53 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-05-10

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned