Structure Database (LMSD)
Common Name
Cerulenin
Systematic Name
cis-2-epoxy-4-oxo-7E,10E-dodecadienamide
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Cerulenin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
GVEZIHKRYBHEFX-ZIMISOLQSA-N
InChi (Click to copy)
InChI=1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b3-2+,6-5+
SMILES (Click to copy)
C(C1OC1C(=O)CC/C=C/C/C=C/C)(=O)N
References
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
1
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
230.61
Topological Polar Surface Area
72.69
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
1.68
Molar Refractivity
61.69
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Created at
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Updated at
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