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(±) 15-HEDE

CAT: 0931-T35510-01Size: 25 µgDry Ice: NoHazardous: No
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CAT#:0931-T35510-01Size:25 µg
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CAS Number
77159-57-0
Target
Others, Lipoxygenase
Related Pathways
Others, Metabolism
Bioactivity
(±) 15-HEDE is produced by non-enzymatic oxidation of 11,14-eicosadienoic acid. There are no reports in the literature of biological activity associated with (±) 15-HEDE.
Smiles
CCCCCC(O)\C=C\C=C/CCCCCCCCCC(O)=O
Molecular Formula
C20H36O3
Molecular Weight
324.505
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

15-Hede

15-HEDE is a hydroxyeicosadienoic acid that consists of 11Z,13E-eicosatrienoic acid bearing a 15-hydroxy substituent. It is produced by non-enzymatic oxidation of 11,14-eicosadienoic acid. There are no reports in the literature of biological activity associated with 15-HEDE. It has a role as a metabolite.

CAS Number77159-57-0
PubChem CID13723965
IUPAC Name(11Z,13E)-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
CCCCCC(/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+
InChIKey
ZTRWPEHMGCHTIT-QWAPPMFBSA-N
Chemical Structure
2D Structure
2D structure of 15-Hede
CAS: 77159-57-0
CID: 13723965
Formula: C20H36O3
MW: 324.5
Interactive 3D Structure
Loading 3D structure...
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 Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes