Chemical Components in the PDB

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LW9 : Summary

Code

LW9

One-letter code

X

Molecule name

3-ethylheptane

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 3-ethylheptane

Formula

C9 H20

Formal charge

0

Molecular weight

128.255 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCCCC(CC)CC
SMILES OpenEye OEToolkits 2.0.6 CCCCC(CC)CC
Canonical SMILES CACTVS 3.385 CCCCC(CC)CC
Canonical SMILES OpenEye OEToolkits 2.0.6 CCCCC(CC)CC

IUPAC InChI

InChI=1S/C9H20/c1-4-7-8-9(5-2)6-3/h9H,4-8H2,1-3H3

IUPAC InChI key

PSVQKOKKLWHNRP-UHFFFAOYSA-N
LW9

wwPDB Information

Atom count

29 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-03-05

Last modified at

2020-02-21

Status

Released

Obsoleted

Not Assigned