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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1173381
CHEMBL1173381
Compound Name ELCOSANOIC ACID
ChEMBL Synonyms Elcosanoic Acid
Max Phase 0
Trade Names
Molecular Formula C20H40O2

Additional synonyms for CHEMBL1173381 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCCCCCCCCC(=O)O
Standard InChI InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17 ...
Download InChI
Standard InChI Key VKOBVWXKNCXXDE-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL1173381

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
312.5 312.3028 8.22 18 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
4.78 - 8.85 6.26 0 22 0.26

Structural Alerts

There are 9 structural alerts for CHEMBL1173381. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VKOBVWXKNCXXDE-UHFFFAOYSA-N
Wikipedia Arachidic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1173381



ACToR 506-30-9
ChEBI 28822
eMolecules 478462
EPA CompTox Dashboard DTXSID1060134
FDA SRS PQB8MJD4RB
Human Metabolome Database HMDB02212
IBM Patent System 813F1E2F39CF16FF6BA4C40542EB1299
KEGG Ligand C06425
LipidMaps LMFA01010020
Mcule MCULE-2888473872
MolPort MolPort-002-534-221
Nikkaji J2.607G
NMRShiftDB 10008805
PDBe DCR
PubChem 10467
PubChem: Thomson Pharma 15272314
SureChEMBL SCHEMBL6539

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