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15 (S) -HEDE

CAT: 0013-GTR19190654-02Size: 50 µgDry Ice: NoHazardous: No
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CAT#:0013-GTR19190654-02Size:50 µg
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Description
15 (S) -HEDE is a 15-lipoxygenase-derived metabolite of 11Z,14Z-eicosadienoic acid. This compound acts as a 5-lipoxygenase inhibitor in RBL-1 cells with an IC50 of 26 μM, making it a useful biochemical tool for studying leukotriene biosynthesis and eicosanoid signaling pathways in vitro.
CAS Number
92693-04-4
Field of Research
Metabolism Research
Smiles
C (=C/C=C\CCCCCCCCCC (O) =O) \[C@H] (CCCCC) O
Molecular Formula
C20H36O3
Molecular Weight
324.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

15(S)-Hede
CAS Number92693-04-4
PubChem CID13723964
IUPAC Name(11Z,13E,15S)-15-hydroxyicosa-11,13-dienoic acid
Molecular FormulaC20H36O3
Molecular Weight324.5
XLogP6.4
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count16
Heavy Atom Count23
Formal Charge0
Complexity321
SMILES
CCCCC[C@@H](/C=C/C=C\CCCCCCCCCC(=O)O)O
InChI
InChI=1S/C20H36O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h9,11,14,17,19,21H,2-8,10,12-13,15-16,18H2,1H3,(H,22,23)/b11-9-,17-14+/t19-/m0/s1
InChIKey
ZTRWPEHMGCHTIT-XMSPSUPSSA-N
Chemical Structure
2D Structure
2D structure of 15(S)-Hede
CAS: 92693-04-4
CID: 13723964
Formula: C20H36O3
MW: 324.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.5
XLogP36.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count16
Exact Mass324.26644501
Monoisotopic Mass324.26644501
Topological Polar Surface Area57.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity321
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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