Chemical Components in the PDB

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LFA : Summary

Code

LFA

One-letter code

X

Molecule name

EICOSANE

Synonyms

LIPID FRAGMENT

Systematic names

ProgramVersionName
ACDLabs 10.04 icosane
OpenEye OEToolkits 1.5.0 icosane

Formula

C20 H42

Formal charge

0

Molecular weight

282.547 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 C(CCCCCCCCCCCCCCCCC)CC
SMILES CACTVS 3.341 CCCCCCCCCCCCCCCCCCCC
SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCCCCCCCCCCC
Canonical SMILES CACTVS 3.341 CCCCCCCCCCCCCCCCCCCC
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCCCCCCCCCCC

IUPAC InChI

InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3

IUPAC InChI key

CBFCDTFDPHXCNY-UHFFFAOYSA-N
LFA

wwPDB Information

Atom count

62 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-11-19

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned