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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL54943
CHEMBL54943
Compound Name CYSTEINE
ChEMBL Synonyms Cysteine
Max Phase 0
Trade Names
Molecular Formula C3H7NO2S

Additional synonyms for CHEMBL54943 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(CS)C(=O)O
Standard InChI InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)
Standard InChI Key XUJNEKJLAYXESH-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL54943

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
121.2 121.0197 -3.08 2 102.12 ZWITTERION


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.07 11.05 .09 -2.44 0 7 0.34

Structural Alerts

There are 8 structural alerts for CHEMBL54943. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XUJNEKJLAYXESH-UHFFFAOYSA-N
PubChem SID: 124892250 SID: 144205319 SID: 170464842 SID: 29216046
Wikipedia Cysteine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL54943



ACToR 3374-22-9 52-90-4 7242-49-1
Atlas cysteine
BindingDB 86203
ChEBI 15356 35237
eMolecules 505558
EPA CompTox Dashboard DTXSID5046988
IBM Patent System F2DB14AA39ECBAAD653F83D6B13B1345
KEGG Ligand C00736
Mcule MCULE-1666411258
MolPort MolPort-000-762-004 MolPort-001-573-586
Nikkaji J1.261K
NMRShiftDB 10016955
PubChem 594 5260155
PubChem: Thomson Pharma 15388337
SureChEMBL SCHEMBL3348

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