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
Status
Active
Exact Mass
Calculate m/z
308.235145
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

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

Other Databases

LIPIDBANK ID
DFA8071
PubChem CID

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