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9 (E) -Octadecenamide

CAT: 0931-T38143-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T38143-02Size:50 mg
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CAS Number
4303-70-2
Target
Others, Epoxide Hydrolase, Endogenous Metabolite
Related Pathways
Others, Metabolism
Bioactivity
9 (E) -Octadecenamide (Elaidamide) is a fatty acid amide and endogenous metabolite that inhibits rat microsomal epoxide hydrolase (mEH) with a Ki of 70 nM.
Smiles
C(C/C=C/CCCCCCCC)CCCCCC(N)=O
Molecular Formula
C18H35NO
Molecular Weight
281.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Elaidamide

Elaidamide is a fatty amide.

CAS Number4303-70-2
PubChem CID5353370
IUPAC Name(E)-octadec-9-enamide
Molecular FormulaC18H35NO
Molecular Weight281.5
XLogP6.6
Topological Polar Surface Area43.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count15
Heavy Atom Count20
Formal Charge0
Complexity236
SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)N
InChI
InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9+
InChIKey
FATBGEAMYMYZAF-MDZDMXLPSA-N
Chemical Structure
2D Structure
2D structure of Elaidamide
CAS: 4303-70-2
CID: 5353370
Formula: C18H35NO
MW: 281.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight281.5
XLogP36.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count15
Exact Mass281.271864740
Monoisotopic Mass281.271864740
Topological Polar Surface Area43.1 Ų
Heavy Atom Count20
Formal Charge0
Complexity236
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes