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Bovinic acid

CAT: 0931-T10584-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T10584-01Size:5 mg
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CAS Number
2540-56-9
Target
Endogenous Metabolite
Related Pathways
Metabolism
Purity
0.98
Bioactivity
Bovinic acid ((9Z,11E) -Octadecadienoic acid) is a conjugated linoleic acid with anticancer and anti-atherosclerotic activity and can be used to study coronary heart disease and obesity in the elderly.
Smiles
CCCCCC\C=C\C=C/CCCCCCCC(O)=O
Molecular Formula
C18H32O2
Molecular Weight
280.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

9-cis,11-trans-Octadecadienoic acid

9-cis,11-trans-octadecadienoic acid is an octadeca-9,11-dienoic acid having 9-cis,11-trans-stereochemistry. It is a conjugate acid of a 9-cis,11-trans-octadecadienoate.

CAS Number2540-56-9
PubChem CID5280644
IUPAC Name(9Z,11E)-octadeca-9,11-dienoic acid
Molecular FormulaC18H32O2
Molecular Weight280.4
XLogP7.1
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Heavy Atom Count20
Formal Charge0
Complexity267
SMILES
CCCCCC/C=C/C=C\CCCCCCCC(=O)O
InChI
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-10H,2-6,11-17H2,1H3,(H,19,20)/b8-7+,10-9-
InChIKey
JBYXPOFIGCOSSB-GOJKSUSPSA-N
Chemical Structure
2D Structure
2D structure of 9-cis,11-trans-Octadecadienoic acid
CAS: 2540-56-9
CID: 5280644
Formula: C18H32O2
MW: 280.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight280.4
XLogP37.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Exact Mass280.240230259
Monoisotopic Mass280.240230259
Topological Polar Surface Area37.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity267
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes