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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL164813
CHEMBL164813
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H32O3

Additional synonyms for CHEMBL164813 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@@H](O)CCCC(=O)O
Standard InChI InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21 ...
Download InChI
Standard InChI Key KGIJOOYOSFUGPC-JGKLHWIESA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL164813

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
320.5 320.2351 5.34 14 57.53 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 1 3 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.67 - 5.34 2.64 0 23 0.26

Structural Alerts

There are 6 structural alerts for CHEMBL164813. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KGIJOOYOSFUGPC-JGKLHWIESA-N
PubChem SID: 26754739
Wikipedia 5-Hydroxyeicosatetraenoic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL164813



ACToR 70608-72-9
BindingDB 50027525
ChEBI 28209
FDA SRS 467RNW8T91
Guide to Pharmacology 3390
Human Metabolome Database HMDB0011134
KEGG Ligand C04805
LipidMaps LMFA03060002
Metabolights MTBLC28209
Nikkaji J390.336B
PubChem 5280733
PubChem: Thomson Pharma 15469964
SureChEMBL SCHEMBL1476909
ZINC ZINC000004546338

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