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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1173379
CHEMBL1173379
Compound Name NERVONIC ACID
ChEMBL Synonyms Nervonic Acid
Max Phase 0
Trade Names
Molecular Formula C24H46O2

Additional synonyms for CHEMBL1173379 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O
Standard InChI InChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17 ...
Download InChI
Standard InChI Key GWHCXVQVJPWHRF-KTKRTIGZSA-N

Structural Alerts

There are 9 structural alerts for CHEMBL1173379. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL1173379

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
366.6 366.3498 9.6 21 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
4.78 - 10.48 7.89 0 26 0.16

Compound Cross References

ChemSpider ChemSpider:GWHCXVQVJPWHRF-KTKRTIGZSA-N
Wikipedia Nervonic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1173379



ACToR 506-37-6
ChEBI 44247
eMolecules 532004
FDA SRS 91OQS788BE
Human Metabolome Database HMDB02368
KEGG Ligand C08323
Nikkaji J11.357C
PDBe NER
PubChem 5281120
PubChem: Thomson Pharma 14779352
SureChEMBL SCHEMBL21103

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