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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL484430
CHEMBL484430
Compound Name
ChEMBL Synonyms (6Z,9Z,12Z,15Z)-Octadecatetraenoic Acid
Max Phase 0
Trade Names
Molecular Formula C18H28O2

Additional synonyms for CHEMBL484430 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)O
Standard InChI InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17 ...
Download InChI
Standard InChI Key JIWBIWFOSCKQMA-LTKCOYKYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL484430

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
276.4 276.2089 5.53 12 37.29 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 1 2 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.74 - 6.09 3.46 0 20 0.38

Structural Alerts

There are 4 structural alerts for CHEMBL484430. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JIWBIWFOSCKQMA-LTKCOYKYSA-N
Wikipedia Stearidonic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL484430



ACToR 111174-40-4
Brenda 49486 137189 107530 66965
ChEBI 32389
eMolecules 26751489
FDA SRS P4CEK3495O
Human Metabolome Database HMDB0006547
KEGG Ligand C16300
LipidMaps LMFA01030357
Metabolights MTBLC32389
MolPort MolPort-009-018-856
PubChem 5312508
PubChem: Thomson Pharma 14824320
SureChEMBL SCHEMBL29226
ZINC ZINC000013551720

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