Chemical Components in the PDB

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ETM : Summary

Code

ETM

One-letter code

X

Molecule name

2-(TRIMETHYLAMMONIUM)ETHYL THIOL

Systematic names

ProgramVersionName
ACDLabs 10.04 N,N,N-trimethyl-2-sulfanylethanaminium
OpenEye OEToolkits 1.5.0 trimethyl-(2-sulfanylethyl)azanium

Formula

C5 H14 N S

Formal charge

1

Molecular weight

120.236 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 SCC[N+](C)(C)C
SMILES CACTVS 3.341 C[N+](C)(C)CCS
SMILES OpenEye OEToolkits 1.5.0 C[N+](C)(C)CCS
Canonical SMILES CACTVS 3.341 C[N+](C)(C)CCS
Canonical SMILES OpenEye OEToolkits 1.5.0 C[N+](C)(C)CCS

IUPAC InChI

InChI=1S/C5H13NS/c1-6(2,3)4-5-7/h4-5H2,1-3H3/p+1

IUPAC InChI key

VFUGTBZQGUVGEX-UHFFFAOYSA-O
ETM

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

2003-09-26

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned