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EBI Databases Small Molecules ChEMBL Database CHEMBL67166

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL67166
CHEMBL67166
Compound Name SPHINGOSINE
ChEMBL Synonyms D-Sphingosine
Max Phase 0
Trade Names
Molecular Formula C18H37NO2

Additional synonyms for CHEMBL67166 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO
Standard InChI InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(2 ...
Download InChI
Standard InChI Key WWUZIQQURGPMPG-KRWOKUGFSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL67166

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
299.5 299.2824 3.92 15 66.48 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.8 7.88 5.04 3.21 0 21 0.32

Structural Alerts

There are 10 structural alerts for CHEMBL67166. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WWUZIQQURGPMPG-KRWOKUGFSA-N
PubChem SID: 124384872 SID: 26751809 SID: 26751810 SID: 26751811 SID: 50104502 SID: 50104503 SID: 50104504 SID: 56320653
Wikipedia Sphingosine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL67166



ACToR 477243-03-1 475662-41-0 123-78-4
BindingDB 83205
Brenda 567 102256 212323 32880 48165 2245
ChEBI 16393
ChemicalBook CB1262764
DrugBank DB03203
eMolecules 531544
FDA SRS NGZ37HRE42
Guide to Pharmacology 2452
KEGG Ligand C00319
LINCS LSM-43218
LipidMaps LMSP01010001
Metabolights MTBLC16393
MolPort MolPort-003-850-275
Nikkaji J36.270K J1.627.151I J10.894D
PDBe SQS
PubChem 5280335
PubChem: Drugs of the Future 87550961
PubChem: Thomson Pharma 14776087 14849512
SureChEMBL SCHEMBL19398
ZINC ZINC000008195650

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