Structure Database (LMSD)

Common Name
methyl 9,10-epoxy-12,15-octadecadienoate
Systematic Name
methyl 9,10-epoxy-12,15-octadecadienoate
Synonyms
LM ID
LMFA01070012
Formula
C19H32O3
Exact Mass
Calculate m/z
308.235145
Sum Composition
FA 19:3;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Epoxy fatty acids [FA0107]
Unsaturated fatty acids [FA0103]
Fatty esters [FA07]
Short fatty esters [FA0710]
Octadecanoids [FA02]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
High pressure liquid chromatography of autoxidized lipids: II. Hydroperoxy-cyclic peroxides and other secondary products from methyl linolenate,
Lipids, 1981

String Representations

InChiKey (Click to copy)
WJRQEOOGBUSIOJ-OCJIRGAFSA-N
InChi (Click to copy)
InChI=1S/C19H32O3/c1-3-4-5-6-8-11-14-17-18(22-17)15-12-9-7-10-13-16-19(20)21-2/h4-5,8,11,17-18H,3,6-7,9-10,12-16H2,1-2H3/b5-4+,11-8+
SMILES (Click to copy)
C1(OC1CCCCCCCC(=O)OC)C/C=C/C/C=C/CC

Other Databases

CHEBI ID
192734
LIPIDBANK ID
DFA8071
PubChem CID
5283019

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 343.35
Topological Polar Surface Area 38.83
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
logP 5.53
Molar Refractivity 91.83

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Created at
-
Updated at
7th Jun 2022