Structure Database (LMSD)

Common Name
methyl Euphormarginata acid A
Systematic Name
methyl 10Z,12Z,15Z-octadecatrienoate
Synonyms
  • SFE 1:0/18:3(10Z,12Z,15Z)
LM ID
LMFA07100019
Formula
C19H32O2
Exact Mass
Calculate m/z
292.240231
Sum Composition
SFE 19:3
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Short fatty esters [FA0710]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Euphorbia marginata (#28955)
Magnoliopsida (#3398)
Two fatty acid derivatives from the whole plant of <i>Euphorbia marginata</i>.,
Nat Prod Res, 2025
Pubmed ID: 40580504

String Representations

InChiKey (Click to copy)
FGAHUMJYYOVHQF-KTVUOLNVSA-N
InChi (Click to copy)
InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-10H,3,6,11-18H2,1-2H3/b5-4-,8-7-,10-9-
SMILES (Click to copy)
C(CCCCCCCC/C=C\C=C/C/C=C\CC)(=O)OC

Calculated Physicochemical Properties

Heavy Atoms 21
Rings
Aromatic Rings
Rotatable Bonds 14
Van der Waals Molecular Volume 344.28
Topological Polar Surface Area 26.30
Hydrogen Bond Donors
Hydrogen Bond Acceptors 2
logP 5.75
Molar Refractivity 91.28

Admin

Created at
11th Jul 2025
Updated at
11th Jul 2025