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

GYF

Summary
Name:methyl 3-sulfanylpropanoate
Formula:C4 H8 O2 S
Formal charge:0
Formula weight:120.17 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7methyl 3-sulfanylpropanoate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C4H8O2S/c1-6-4(5)2-3-7/h7H,2-3H2,1H3
InChIKeyInChI1.03LDTLDBDUBGAEDT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COC(=O)CCS
SMILESCACTVS3.385COC(=O)CCS
SMILES_CANONICALOpenEye OEToolkits2.0.7COC(=O)CCS
SMILESOpenEye OEToolkits2.0.7COC(=O)CCS

222415

PDB entries from 2024-07-10

PDB statisticsPDBj update infoContact PDBjnumon