General Information of the Compound
Compound ID
CP0659028
Compound Name
(6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoic acid
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Synonyms
[3H]-5-oxo-ETE
(6E,8Z,11Z,14Z)-5-Oxoicosa-6,8,11,14-tetraenoic acid
106154-18-1
5-Kete
5-Keto-6,8,11,14-eicosatetraenoic acid
5-Oxo-ETE
5-Oxo-eicosatetraenoate
5-Oxoeicosatetraenoic acid
5-Oxoete
5-Oxoicosatetraenoic acid
5-keto-ETE
5-ketoeicosatetraenoic acid
5-oxo-6E,8Z,11Z,14Z-eicosatetraenoic acid
5-oxo-ETE
AC1NR1NN
BML1-D12
BSPBio_001453
CHEBI:52449
CHEMBL18028
ETE-5-Oxo
GTPL3391
GTPL3416
HMS1361I15
HMS1791I15
HMS1989I15
HMS3402I15
LMFA03060011
MEASLHGILYBXFO-XTDASVJISA-N
SCHEMBL139762
ZINC4655377
[3H]-5-oxo-ETE
[3H]5-oxo-ETE
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Structure
Formula
C20H30O3
Molecular Weight
318.457
Canonical SMILES
CCCCC/C=C\C/C=C\C/C=C\C=C\C(=O)CCCC(=O)O
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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+
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InChIKey
MEASLHGILYBXFO-XTDASVJISA-N
Physicochemical Property
logP
5.3957
Rotatable Bonds
14
Heavy Atom Count
23
Polar Areas
54.37
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
23

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 5283159
SID: 15469850
ChEMBL ID
CHEMBL18028
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT04445, Oxoeicosanoid receptor 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
EC50 = 220 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( [3H]5-oxo-ETE )
Drug Name [3H]5-oxo-ETE
Target(s)
Oxoeicosanoid receptor 1 (OXER1)
 Target Info 
Agonist