Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

ETM

Summary
Name:2-(TRIMETHYLAMMONIUM)ETHYL THIOL
Formula:C5 H14 N S
Formal charge:1
Formula weight:120.236 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N,N,N-trimethyl-2-sulfanylethanaminium
OpenEye OEToolkits1.5.0trimethyl-(2-sulfanylethyl)azanium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04SCC[N+](C)(C)C
SMILES_CANONICALCACTVS3.341C[N+](C)(C)CCS
SMILESCACTVS3.341C[N+](C)(C)CCS
SMILES_CANONICALOpenEye OEToolkits1.5.0C[N+](C)(C)CCS
SMILESOpenEye OEToolkits1.5.0C[N+](C)(C)CCS
InChIInChI1.03InChI=1S/C5H13NS/c1-6(2,3)4-5-7/h4-5H2,1-3H3/p+1
InChIKeyInChI1.03VFUGTBZQGUVGEX-UHFFFAOYSA-O

222036

PDB entries from 2024-07-03

PDB statisticsPDBj update infoContact PDBjnumon