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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL203187
CHEMBL203187
Compound Name ETHIONINE
ChEMBL Synonyms L-Ethionine | Ethionine
Max Phase 0
Trade Names
Molecular Formula C6H13NO2S

Additional synonyms for CHEMBL203187 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCSCC[C@H](N)C(=O)O
Standard InChI InChI=1S/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H, ...
Download InChI
Standard InChI Key GGLZPLKKBSSKCX-YFKPBYRVSA-N

Sources

  • Gene Expression Atlas Compounds
  • Open TG-GATEs
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL203187

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
163.2 163.0667 -2.49 5 88.62 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 3 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.23 9.52 .73 -1.78 0 10 0.44

Structural Alerts

There are 3 structural alerts for CHEMBL203187. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GGLZPLKKBSSKCX-YFKPBYRVSA-N
PubChem SID: 4253465
Wikipedia Ethionine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL203187



ACToR 535-32-0
Atlas ethionine
BindingDB 50179693
Brenda 1447 22159 195112
ChEBI 4886
eMolecules 537882
EPA CompTox Dashboard DTXSID5020578
FDA SRS WX1BN24WZT
IBM Patent System CBD19219913F96B0929B2346D3ADA4A9
KEGG Ligand C11227
Mcule MCULE-1077672629
MolPort MolPort-003-941-236
Nikkaji J9.260F
PDBe ESC
PubChem 25674 6992071
PubChem: Thomson Pharma 14843110
SureChEMBL SCHEMBL8967
ZINC ZINC000001532201

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/GGLZPLKKBSSKCX-YFKPBYRVSA-N spacer
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