Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

TME : Summary

Code

TME

One-letter code

X

Molecule name

PROPANE

Systematic names

ProgramVersionName
ACDLabs 10.04 propane
OpenEye OEToolkits 1.5.0 propane

Formula

C3 H8

Formal charge

0

Molecular weight

44.096 Da

SMILES

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

IUPAC InChI

InChI=1S/C3H8/c1-3-2/h3H2,1-2H3

IUPAC InChI key

ATUOYWHBWRKTHZ-UHFFFAOYSA-N
TME

wwPDB Information

Atom count

11 (3 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2001-01-24

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned