Chemical Components in the PDB

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UND : Summary

Code

UND

One-letter code

X

Molecule name

UNDECANE

Synonyms

LIPID FRAGMENT

Systematic names

ProgramVersionName
ACDLabs 10.04 undecane
OpenEye OEToolkits 1.5.0 undecane

Formula

C11 H24

Formal charge

0

Molecular weight

156.308 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 C(CCCCCCCC)CC
SMILES CACTVS 3.341 CCCCCCCCCCC
SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCC
Canonical SMILES CACTVS 3.341 CCCCCCCCCCC
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCC

IUPAC InChI

InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3

IUPAC InChI key

RSJKGSCJYJTIGS-UHFFFAOYSA-N
UND

wwPDB Information

Atom count

35 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-09-17

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned