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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

Sources

  • Scientific Literature

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 8.45 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 - 10.48 7.89 0 26 0.16

Structural Alerts

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

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
Brenda 84175 10732 55058 171300
ChEBI 44247
eMolecules 532004
FDA SRS 91OQS788BE
Human Metabolome Database HMDB0002368
KEGG Ligand C08323
LipidMaps LMFA01030092
Metabolights MTBLC44247
MolPort MolPort-003-939-503
Nikkaji J11.357C
PDBe NER
PubChem 5281120
PubChem: Thomson Pharma 14779352
SureChEMBL SCHEMBL21103
ZINC ZINC000006920440

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