[3H]5-oxo-ETE   

GtoPdb Ligand ID: 3416

Synonyms: [3H]-5-oxo-ETE
   
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 14
Topological polar surface area 54.37
Molecular weight 318.22
XLogP 6.35
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
Canonical SMILES CCCCCC=CCC=CCC=CC=CC(=O)CCCC(=O)O
Isomeric SMILES CCCCC/C=C\C/C=C\C/C=C\C=C\C(=O)CCCC(=O)O
InChI InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+
InChI Key MEASLHGILYBXFO-XTDASVJISA-N
Classification
Compound class Synthetic organic
IUPAC Name
(6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoic acid
Synonyms
[3H]-5-oxo-ETE
Database Links
ChEMBL Ligand CHEMBL18028
GtoPdb PubChem SID 178100422
PubChem CID 5283159
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