EPA   

GtoPdb Ligand ID: 3362

Synonyms: C20:5n-3,6,9,12,15 | eicosapentaenoic acid | icosapentaenoic acid
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 13
Topological polar surface area 37.3
Molecular weight 302.22
XLogP 8.02
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
Canonical SMILES CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O
Isomeric SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
InChI InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-
InChI Key JAZBEHYOTPTENJ-JLNKQSITSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid
International Nonproprietary Names
INN number INN
6328 icosapent
Synonyms
C20:5n-3,6,9,12,15 | eicosapentaenoic acid | icosapentaenoic acid
Database Links
CAS Registry No. 10417-94-4 (source: Scifinder)
ChEBI CHEBI:28364
ChEMBL Ligand CHEMBL460026
DrugBank Ligand DB00159
DrugCentral Ligand 3174
GtoPdb PubChem SID 178100387
PubChem CID 446284
RCSB PDB Ligand EPA
Search Google for chemical match using the InChIKey JAZBEHYOTPTENJ-JLNKQSITSA-N
Search Google for chemicals with the same backbone JAZBEHYOTPTENJ
Search PubMed clinical trials icosapent
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Search UniChem for chemical match using the InChIKey JAZBEHYOTPTENJ-JLNKQSITSA-N
Search UniChem for chemicals with the same backbone JAZBEHYOTPTENJ
Wikipedia Eicosapentaenoic_acid

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Tocris
Eicosapentaenoic Acid
Cat. No. 5979