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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL456732
CHEMBL456732
Compound Name MYRISTOLEIC ACID
ChEMBL Synonyms Myristoleic Acid
Max Phase 0
Trade Names
Molecular Formula C14H26O2

Additional synonyms for CHEMBL456732 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCC\C=C/CCCCCCCC(=O)O
Standard InChI InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5 ...
Download InChI
Standard InChI Key YWWVWXASSLXJHU-WAYWQWQTSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL456732

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
226.4 226.1933 4.55 11 37.3 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.78 - 5.38 2.79 0 16 0.41

Structural Alerts

There are 7 structural alerts for CHEMBL456732. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YWWVWXASSLXJHU-WAYWQWQTSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL456732



BindingDB 50269530
Brenda 48387 120929 80134 198764
ChEBI 27781
eMolecules 591845
EPA CompTox Dashboard DTXSID5041568
FDA SRS RF23WGD123
Human Metabolome Database HMDB0002000
KEGG Ligand C08322
LipidMaps LMFA01030051
Metabolights MTBLC27781
MolPort MolPort-003-958-711
Nikkaji J11.362J
PDBe MYZ
PubChem 5281119
PubChem: Thomson Pharma 14749235
SureChEMBL SCHEMBL109270
ZINC ZINC000004529321

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