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15 (S) -HpEDE

CAT: 0013-GTR19190652-01Size: 25 µgDry Ice: NoHazardous: No
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CAT#:0013-GTR19190652-01Size:25 µg
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Description
15 (S) -HpEDE is a 15-lipoxygenase-derived hydroperoxy fatty acid from eicosadienoic acid. Its biological roles are not fully defined, but it is anticipated to share properties with 15 (S) -HpETE, making it a compound of interest for research in lipid oxidation, inflammation, and related cell signaling pathways in vitro.
CAS Number
145375-41-3
Smiles
CCCCC[C@H] (OO) \C=C\C=C/CCCCCCCCCC (O) =O
Molecular Formula
C20H36O4
Molecular Weight
340.504
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

15S-HpEDE

(15S)-hydroperoxy-(11Z,13E)-icosadienoic acid is a hydroperoxy fatty acid that is (11Z,13E)-icosadienoic acid in which the pro-S hydrogen at position 15 has been replaced by a hydroperoxy group. It is a long-chain fatty acid and a hydroperoxy polyunsaturated fatty acid. It is a conjugate acid of a (15S)-hydroperoxy-(11Z,13E)-icosadienoate.

CAS Number145375-41-3
PubChem CID5282869
IUPAC Name(11Z,13E,15S)-15-hydroperoxyicosa-11,13-dienoic acid
Molecular FormulaC20H36O4
Molecular Weight340.5
XLogP6.5
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count17
Heavy Atom Count24
Formal Charge0
Complexity337
SMILES
CCCCC[C@@H](/C=C/C=C\CCCCCCCCCC(=O)O)OO
InChI
InChI=1S/C20H36O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h9,11,14,17,19,23H,2-8,10,12-13,15-16,18H2,1H3,(H,21,22)/b11-9-,17-14+/t19-/m0/s1
InChIKey
KEXNVBSLXJLOPR-XMSPSUPSSA-N
Chemical Structure
2D Structure
2D structure of 15S-HpEDE
CAS: 145375-41-3
CID: 5282869
Formula: C20H36O4
MW: 340.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.5
XLogP36.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count17
Exact Mass340.26135963
Monoisotopic Mass340.26135963
Topological Polar Surface Area66.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity337
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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MBS579830915(S)-HpEDE
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