Structure Database (LMSD)

Common Name
5Z,9Z,12Z-Eicosatrienoic acid
Systematic Name
5Z,9Z,12Z-Eicosatrienoic acid
Synonyms
  • 5,9,12-Eicosatrienoic acid, (5Z,9Z,12Z)-
  • Z,Z,Z-5,9,12-Eicosatrienoic acid
  • 5,9,12-Icosatrienoic acid
  • 5c,9c,12c-Eicosatrienoic acid
LM ID
LMFA01031078
Formula
C20H34O2
Exact Mass
Calculate m/z
306.25588
Sum Composition
FA 20:3
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

String Representations

InChiKey (Click to copy)
LRYXBPZAMYRWHM-UCVSHGSNSA-N
InChi (Click to copy)
InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h8-9,11-12,15-16H,2-7,10,13-14,17-19H2,1H3,(H,21,22)/b9-8-,12-11-,16-15-
SMILES (Click to copy)
C(CCC/C=C\CC/C=C\C/C=C\CCCCCCC)(=O)O

Other Databases

PubChem CID
131839764
PlantFA ID
10351

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 361.58
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.44
Molar Refractivity 96.13

Admin

Created at
-
Updated at
25th Apr 2022