LIPID MAPS

Structure Database (LMSD)

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Common Name

Euphormarginata acid A

Systematic Name

10Z,12Z,15Z-octadecatrienoic acid

Synonyms

LM ID

LMFA01031366

Formula

C₁₈H₃₀O₂

Exact Mass

Calculate m/z

278.224581

Sum Composition

FA 18:3

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

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)

DASDQNZKDMCAQF-DYDVFMABSA-N

InChi (Click to copy)

InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-9H,2,5,10-17H2,1H3,(H,19,20)/b4-3-,7-6-,9-8-

SMILES (Click to copy)

C(CCCCCCCC/C=C\C=C/C/C=C\CC)(=O)O

Calculated Physicochemical Properties

Heavy Atoms 20

Rings

Aromatic Rings

Rotatable Bonds 13

Van der Waals Molecular Volume 326.98

Topological Polar Surface Area 37.30

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 5.66

Molar Refractivity 86.90

Admin

Created at

11th Jul 2025

Updated at