Chemical Components in the PDB

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LNK : Summary

Code

LNK

One-letter code

X

Molecule name

PENTANE

Systematic names

ProgramVersionName
ACDLabs 10.04 pentane
OpenEye OEToolkits 1.5.0 pentane

Formula

C5 H12

Formal charge

0

Molecular weight

72.149 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 CCCCC
SMILES CACTVS 3.341 CCCCC
SMILES OpenEye OEToolkits 1.5.0 CCCCC
Canonical SMILES CACTVS 3.341 CCCCC
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCC

IUPAC InChI

InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3

IUPAC InChI key

OFBQJSOFQDEBGM-UHFFFAOYSA-N
LNK

wwPDB Information

Atom count

17 (5 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2001-05-15

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned