Chemical Components in the PDB

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QTE : Summary

Code

QTE

One-letter code

X

Molecule name

methylcyclohexane

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 methylcyclohexane

Formula

C7 H14

Formal charge

0

Molecular weight

98.186 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC1CCCCC1
SMILES OpenEye OEToolkits 2.0.7 CC1CCCCC1
Canonical SMILES CACTVS 3.385 CC1CCCCC1
Canonical SMILES OpenEye OEToolkits 2.0.7 CC1CCCCC1

IUPAC InChI

InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3

IUPAC InChI key

UAEPNZWRGJTJPN-UHFFFAOYSA-N
QTE

wwPDB Information

Atom count

21 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-08-06

Last modified at

2020-11-13

Status

Released

Obsoleted

Not Assigned