Structure Database (LMSD)
Common Name
11-methoxy-12,13-epoxy-9-octadecenoic acid
Systematic Name
11-methoxy-12,13-epoxy-9-octadecenoic acid
Synonyms
LM ID
LMFA01080007
Formula
Exact Mass
Calculate m/z
326.24571
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of 11-methoxy-12,13-epoxy-9-octadecenoic acid
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)
WLOMJJRDPWCKSV-ACCUITESSA-N
InChi (Click to copy)
InChI=1S/C19H34O4/c1-3-4-10-14-17-19(23-17)16(22-2)13-11-8-6-5-7-9-12-15-18(20)21/h11,13,16-17,19H,3-10,12,14-15H2,1-2H3,(H,20,21)/b13-11+
SMILES (Click to copy)
C(/C(OC)C1OC1CCCCC)=C\CCCCCCCC(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
1
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
354.78
Topological Polar Surface Area
59.06
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
5.58
Molar Refractivity
94.23
Admin
Created at
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Updated at
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