arachidonic acid   

GtoPdb Ligand ID: 2391

Synonyms: C20:4
2D Structure
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Physico-chemical Properties
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
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
Compound class Metabolite or derivative
IUPAC Name
(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
Synonyms
C20:4
Database Links
CAS Registry No. 506-32-1 (source: Scifinder)
ChEBI CHEBI:15843
ChEMBL Ligand CHEMBL15594
DrugBank Ligand DB04557
GtoPdb PubChem SID 135651442
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
Search UniChem for chemical match using the InChIKey YZXBAPSDXZZRGB-DOFZRALJSA-N
Search UniChem for chemicals with the same backbone YZXBAPSDXZZRGB
Wikipedia Arachidonic_acid

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