ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1173462
CHEMBL1173462
Compound Name TRICOSANOIC ACID
ChEMBL Synonyms Tricosanoic Acid
Max Phase 0
Trade Names
Molecular Formula C23H46O2

Additional synonyms for CHEMBL1173462 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCCCCCCCCCCCC(=O)O
Standard InChI InChI=1S/C23H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17 ...
Download InChI
Standard InChI Key XEZVDURJDFGERA-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1173462

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
354.6 354.3498 8.28 21 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 - 10.38 7.79 0 25 0.21

Structural Alerts

There are 9 structural alerts for CHEMBL1173462. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XEZVDURJDFGERA-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1173462



ACToR 2433-96-7
ChEBI 42394
DrugBank DB03500
eMolecules 532672
EPA CompTox Dashboard DTXSID40179067
FDA SRS MUC9A0MS6V
Human Metabolome Database HMDB0001160
IBM Patent System 12D84AD5FE48B61133932E371FFE5070
LipidMaps LMFA01010023
Mcule MCULE-6888441916
Metabolights MTBLC42394
MolPort MolPort-003-939-689
Nikkaji J97.994E
PDBe F23
PubChem 17085
PubChem: Thomson Pharma 14876464
SureChEMBL SCHEMBL250860
ZINC ZINC000006920379

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