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

013

Summary
Name:1,3-thiazol-5-ylmethyl hydrogen carbonate
Formula:C5 H5 N O3 S
Formal charge:0
Formula weight:159.163 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011,3-thiazol-5-ylmethyl hydrogen carbonate
OpenEye OEToolkits1.7.01,3-thiazol-5-ylmethyl hydrogen carbonate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)OCc1scnc1
SMILES_CANONICALCACTVS3.370OC(=O)OCc1scnc1
SMILESCACTVS3.370OC(=O)OCc1scnc1
SMILES_CANONICALOpenEye OEToolkits1.7.0c1c(scn1)COC(=O)O
SMILESOpenEye OEToolkits1.7.0c1c(scn1)COC(=O)O
InChIInChI1.03InChI=1S/C5H5NO3S/c7-5(8)9-2-4-1-6-3-10-4/h1,3H,2H2,(H,7,8)
InChIKeyInChI1.03KMTXKJAMNZYVII-UHFFFAOYSA-N

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon