Structure Database (LMSD)
Common Name
9,10-epoxy-11,13-docosadiynoic acid
Systematic Name
9,10-epoxy-docosa-11,13-diynoic acid
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 9,10-epoxy-11,13-docosadiynoic 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)
RRAFKGMABGTGAF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-11-14-17-20-21(25-20)18-15-12-10-13-16-19-22(23)24/h20-21H,2-8,10,12-13,15-16,18-19H2,1H3,(H,23,24)
SMILES (Click to copy)
C(C1OC1C#CC#CCCCCCCCC)CCCCCCC(O)=O
References
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
1
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
389.97
Topological Polar Surface Area
49.83
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
5.90
Molar Refractivity
103.18
Admin
Created at
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Updated at
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