Structure Database (LMSD)

Common Name
Pinolenic acid
Systematic Name
5Z,9Z,12Z-octadecatrienoic acid
Synonyms
  • C18:3n-6,9,13
LM ID
LMFA01030344
Status
Active
Exact Mass
Calculate m/z
278.22458
Formula
C18H30O2
Abbrev
FA 18:3
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Octadecanoids [FA02]

String Representations

InChiKey (Click to copy)
HXQHFNIKBKZGRP-URPRIDOGSA-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/h6-7,9-10,13-14H,2-5,8,11-12,15-17H2,1H3,(H,19,20)/b7-6-,10-9-,14-13-
SMILES (Click to copy)
C(CCC/C=C\CC/C=C\C/C=C\CCCCC)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Pinus (#3337)
Pinopsida (#58019)
5,9,12-Octadecatrienoic Acid in Finnish Pine Wood and Tall Oil
Xeranthemum annuum (#145993)
Magnoliopsida (#3398)
cis-5,cis-9,cis-12-octadecatrienoic and some unusual oxygenated acids inXeranthemum annuum seed oil.,
Lipids, 1967
Pubmed ID: 17805745

Other Databases

Wikipedia
Pinolenic_acid
LIPIDAT ID
5691
CHEBI ID
86136
PubChem CID
5312495
PlantFA ID
10100
Cayman ID
10008654

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

Reactions

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Created at
-
Updated at
25th Apr 2022