Structure Database (LMSD)

Common Name
13E,17-octadecadienoic acid
Systematic Name
13E,17-octadecadienoic acid
Synonyms
  • C18:2n-1,5
LM ID
LMFA01030303
Formula
C18H32O2
Exact Mass
Calculate m/z
280.24023
Sum Composition
FA 18:2
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]
Octadecanoids [FA02]

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)
ZSCQSJYYQBIMGK-AATRIKPKSA-N
InChi (Click to copy)
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2,5-6H,1,3-4,7-17H2,(H,19,20)/b6-5+
SMILES (Click to copy)
C(CCCCCCCCCCC/C=C/CCC=C)(=O)O

Other Databases

LIPIDAT ID
5585
CHEBI ID
165454
PubChem CID
5312454

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 329.62
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.88
Molar Refractivity 86.99

Admin

Created at
-
Updated at
25th Apr 2022