Structure Database (LMSD)

Common Name
9,12,14-octadecatrienoic acid
Systematic Name
9,12,14-octadecatrienoic acid
Synonyms
  • C18:3n-4,6,9
LM ID
LMFA01030151
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]
Octadecanoids [FA02]

Reactions

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Reactions graph legend

String Representations

InChiKey (Click to copy)
WLRRKOLEXBNXGR-ZYXMWXIMSA-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/h4-7,9-10H,2-3,8,11-17H2,1H3,(H,19,20)/b5-4+,7-6+,10-9+
SMILES (Click to copy)
C(/C/C=C/C=C/CCC)=C\CCCCCCCC(=O)O

Other Databases

CHEBI ID
165488
LIPIDBANK ID
DFA0190
PubChem CID
5282821

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

Admin

Created at
-
Updated at
25th Apr 2022