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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL11722
CHEMBL11722
Compound Name HOMOSERINE
ChEMBL Synonyms Isothreonine | L-Homoserine
Max Phase 0
Trade Names
Molecular Formula C4H9NO3

Additional synonyms for CHEMBL11722 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@@H](CCO)C(=O)O
Standard InChI InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/ ...
Download InChI
Standard InChI Key UKAUYVFTDYCKQA-VKHMYHEASA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL11722

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
119.1 119.0582 -1.22 3 83.55 ZWITTERION


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.21 9.61 -1.29 -3.79 0 8 0.43

Structural Alerts

There are 1 structural alerts for CHEMBL11722. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UKAUYVFTDYCKQA-VKHMYHEASA-N
Wikipedia Homoserine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL11722



ACToR 1927-25-9
Brenda 345 9897 203564
ChEBI 15699 57476
ChemicalBook CB2854094
DrugBank DB04193
eMolecules 518497
EPA CompTox Dashboard DTXSID5075159
FDA SRS 6KA95X0IVO
Human Metabolome Database HMDB0000719
IBM Patent System 3757F7748E9D07DC004C2136CB7595AF
KEGG Ligand C00263
Metabolights MTBLC57476 MTBLC15699
MolPort MolPort-002-499-364
Nikkaji J9.199E
PDBe HSE
PubChem 12647 6971022
PubChem: Thomson Pharma 15146514 14747553
Recon hom_L
Rhea 57476
SureChEMBL SCHEMBL29649
ZINC ZINC000000895146

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