Structure Database (LMSD)

Common Name
ETrE(5Z, 8Z, 11Z)
Systematic Name
5Z,8Z,11Z-eicosatrienoic acid
Synonyms
  • Mead acid
  • C20:3n-9,12,15
LM ID
LMFA01030381
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 are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Reactions graph legend

String Representations

InChiKey (Click to copy)
UNSRRHDPHVZAHH-YOILPLPUSA-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/h9-10,12-13,15-16H,2-8,11,14,17-19H2,1H3,(H,21,22)/b10-9-,13-12-,16-15-
SMILES (Click to copy)
C(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)(=O)O

Other Databases

LIPIDAT ID
3507
HMDB ID
HMDB0010378
CHEBI ID
72865
PubChem CID
5312531
PlantFA ID
10139
SwissLipids ID
SLM:000001063
Cayman ID
90190

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 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.44
Molar Refractivity 96.13

Admin

Created at
-
Updated at
25th Apr 2022