arachidonic acid   Click here for help

GtoPdb Ligand ID: 2391

Synonyms: C20:4
PDB Ligand
Compound class: Metabolite
Comment: Arachidonic acid is a polyunsaturated fatty acid that demonstrates antibacterial activity against Staphylococcus aureus [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 14
Topological polar surface area 37.3
Molecular weight 304.24
XLogP 8.35
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCC=CCC=CCC=CCC=CCCCC(=O)O
Isomeric SMILES CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-
InChI Key YZXBAPSDXZZRGB-DOFZRALJSA-N
Classification Click here for help
Compound class Metabolite
IUPAC Name Click here for help
(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
Synonyms Click here for help
C20:4
Database Links Click here for help
Specialist databases
Antibiotic DB Antibiotic DB Database logo Arachidonic Acid
Other databases
CAS Registry No. 506-32-1 (source: Scifinder)
ChEBI CHEBI:15843
ChEMBL Ligand CHEMBL15594
DrugBank Ligand DB04557
GtoPdb PubChem SID 135651442
LIPID MAPS LMFA01030001
PubChem CID 444899
RCSB PDB Ligand ACD
Search Google for chemical match using the InChIKey YZXBAPSDXZZRGB-DOFZRALJSA-N
Search Google for chemicals with the same backbone YZXBAPSDXZZRGB
UniChem Compound Search for chemical match using the InChIKey YZXBAPSDXZZRGB-DOFZRALJSA-N
UniChem Connectivity Search for chemical match using the InChIKey YZXBAPSDXZZRGB-DOFZRALJSA-N
Wikipedia Arachidonic_acid

Product suppliers

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Tocris
Arachidonic acid (in Tocrisolve™100) (links to external site)
Cat. No. 2756