Structure Database (LMSD)
Common Name
12(13)-EpOME
Systematic Name
(+/-)-12(13)-epoxy-9Z-octadecenoic acid
Synonyms
- Vernolic acid
- isoleukotoxin
3D model of 12(13)-EpOME
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)
CCPPLLJZDQAOHD-FLIBITNWSA-N
InChi (Click to copy)
InChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8-
SMILES (Click to copy)
C(CCCCCCC/C=C\CC1OC1CCCCC)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Rattus norvegicus
(#10116)
Mammalia
(#40674)
Biosynthesis of leukotoxin, 9,10-epoxy-12 octadecenoate, by leukocytes in lung lavages of rat after exposure to hyperoxia.,
Biochem Biophys Res Commun, 1986
Biochem Biophys Res Commun, 1986
Pubmed ID:
3947358
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
1
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
328.69
Topological Polar Surface Area
49.83
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
5.67
Molar Refractivity
87.54
Admin
Created at
-
Updated at
6th Feb 2023