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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15594
CHEMBL15594
Compound Name ARACHIDONIC ACID
ChEMBL Synonyms Arachidonic Acid | Cis-5,8,11,14-Eicosatetraenoic Acid
Max Phase 0
Trade Names
Molecular Formula C20H32O2

Additional synonyms for CHEMBL15594 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O
Standard InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17 ...
Download InChI
Standard InChI Key YZXBAPSDXZZRGB-DOFZRALJSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL15594

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
304.5 304.2402 6.44 14 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
4.75 - 6.99 4.38 0 22 0.3

Structural Alerts

There are 4 structural alerts for CHEMBL15594. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YZXBAPSDXZZRGB-DOFZRALJSA-N
PubChem SID: 26747902 SID: 26753719 SID: 57261284
Wikipedia Arachidonic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL15594



ACToR 506-32-1 93444-49-6
Atlas arachidonic acid
BindingDB 22319
Brenda 9997 619 9572 57898 42609 290
ChEBI 15843
DrugBank DB04557
eMolecules 478458
EPA CompTox Dashboard DTXSID4040420
FDA SRS 27YG812J1I
Guide to Pharmacology 2391
Human Metabolome Database HMDB0060102 HMDB0001043
IBM Patent System 5954113671C56BCF7D018FB07B8E02FC
KEGG Ligand C00219
LINCS LSM-43316
LipidMaps LMFA01030001
Metabolights MTBLC15843
MolPort MolPort-003-666-529
Nikkaji J12.228I
PDBe ACD
PubChem 444899
PubChem: Thomson Pharma 14800661
SureChEMBL SCHEMBL16162
ZINC ZINC000004474696

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