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9 (E),11 (E),13 (E) -Octadecatrienoic Acid

CAT: 0931-T36410-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T36410-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
544-73-0
Target
Others, Bcl-2 Family, Apoptosis
Related Pathways
Apoptosis, Others
Bioactivity
9 (E),11 (E),13 (E) -Octadecatrienoic acid (β-ESA) is a conjugated polyunsaturated fatty acid that is found in plant seed oils and in mixtures of conjugated linolenic acids synthesized by the alkaline isomerization of linolenic acid. It reduces growth of Caco-2 colon cancer cells in a dose-dependent and time-dependent manner.
Smiles
CCCC\C=C\C=C\C=C\CCCCCCCC(O)=O
Molecular Formula
C18H30O2
Molecular Weight
278.436
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Beta-Eleostearic acid

9,11,13-octadecatrienoic acid is any octadecatrienoic acid with three fully-conjugated double bonds at positions 9, 11 and 13.

CAS Number544-73-0
PubChem CID5282820
IUPAC Name(9E,11E,13E)-octadeca-9,11,13-trienoic acid
Molecular FormulaC18H30O2
Molecular Weight278.4
XLogP6.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
Heavy Atom Count20
Formal Charge0
Complexity301
SMILES
CCCC/C=C/C=C/C=C/CCCCCCCC(=O)O
InChI
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-10H,2-4,11-17H2,1H3,(H,19,20)/b6-5+,8-7+,10-9+
InChIKey
CUXYLFPMQMFGPL-SUTYWZMXSA-N
Chemical Structure
2D Structure
2D structure of Beta-Eleostearic acid
CAS: 544-73-0
CID: 5282820
Formula: C18H30O2
MW: 278.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight278.4
XLogP36.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
Exact Mass278.224580195
Monoisotopic Mass278.224580195
Topological Polar Surface Area37.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity301
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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