Structure Database (LMSD)

Common Name
Elaidolinolenic acid
Systematic Name
9E,12E,15E-octadecatrienoic acid
Synonyms
  • trans-9, trans-12, trans-15-octadecatrienoic acid
  • C18:3n-3,6,9
  • Linolenelaidic acid
LM ID
LMFA01030153
Formula
C18H30O2
Exact Mass
Calculate m/z
278.22458
Sum Composition
FA 18:3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

Reactions

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Reactions graph legend

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
The Geometric Isomerism of the Linolenic Acids. Elaidolinolenic Acid,
J Am Chem Soc, 1941
Nicotiana tabacum (#4097)
Magnoliopsida (#3398)
Tobacco seed oil as an alternative diesel fuel: physical and chemical properties,
Ind Crops Prod, 2002

String Representations

InChiKey (Click to copy)
DTOSIQBPPRVQHS-IUQGRGSQSA-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/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+
SMILES (Click to copy)
C(/C/C=C/C/C=C/CC)=C\CCCCCCCC(=O)O

Other Databases

CHEBI ID
165492
LIPIDBANK ID
DFA0192
PubChem CID
5282822
PlantFA ID
10117

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
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

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Created at
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Updated at
11th Oct 2024