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γ-Linolenic acid ethyl ester

CAT: 0931-T41235-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T41235-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
31450-14-3
Target
Leukotriene Receptor, Others
Related Pathways
Others, GPCR/G Protein
Bioactivity
γ-Linolenic acid ethyl ester (Ethyl γ-linolenate) is a leukotriene B4 receptor 4 (LTB4) antagonist with potential anti-inflammatory effects[1].
Smiles
C(CC/C=C\C/C=C\C/C=C\CCCCC)CC(OCC)=O
Molecular Formula
C20H34O2
Molecular Weight
306.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ethyl gamma-linolenate

Gamma-Linolenic acid ethyl ester is a long-chain fatty acid ethyl ester.

CAS Number31450-14-3
PubChem CID9883013
IUPAC Nameethyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
Molecular FormulaC20H34O2
Molecular Weight306.5
XLogP6.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count15
Heavy Atom Count22
Formal Charge0
Complexity327
SMILES
CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OCC
InChI
InChI=1S/C20H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h8-9,11-12,14-15H,3-7,10,13,16-19H2,1-2H3/b9-8-,12-11-,15-14-
InChIKey
MJLYTDAIYLGSRZ-ORZIMQNZSA-N
Chemical Structure
2D Structure
2D structure of Ethyl gamma-linolenate
CAS: 31450-14-3
CID: 9883013
Formula: C20H34O2
MW: 306.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.5
XLogP36.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count15
Exact Mass306.255880323
Monoisotopic Mass306.255880323
Topological Polar Surface Area26.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity327
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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