ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL464787
CHEMBL464787
Compound Name HEXACOSANOIC ACID
ChEMBL Synonyms Hexacosanoic Acid
Max Phase 0
Trade Names
Molecular Formula C26H52O2

Additional synonyms for CHEMBL464787 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
Standard InChI InChI=1S/C26H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17 ...
Download InChI
Standard InChI Key XMHIUKTWLZUKEX-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL464787

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
396.7 396.3967 9.45 24 37.3 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 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 - 11.91 9.31 0 28 0.16

Structural Alerts

There are 9 structural alerts for CHEMBL464787. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XMHIUKTWLZUKEX-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL464787



ACToR 506-46-7
Brenda 195596 131184 59500
ChEBI 31009
eMolecules 516910
EPA CompTox Dashboard DTXSID7075050
FDA SRS D42CQN6P36
Human Metabolome Database HMDB0002356
IBM Patent System D844ED16AD7DCE292B20086D677AD3A8
LipidMaps LMFA01010026
Mcule MCULE-6642298773
Metabolights MTBLC31009
MolPort MolPort-003-895-996
Nikkaji J95.914F
PubChem 10469
PubChem: Thomson Pharma 14781097
SureChEMBL SCHEMBL134632
ZINC ZINC000006920381

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