Structure Database (LMSD)

Common Name
5,8,11-octadecatriynoic acid
Systematic Name
5,8,11-octadecatriynoic acid
Synonyms
  • 5,8,11-Octadecatriynoic acid
LM ID
LMFA01030553
Formula
C18H24O2
Exact Mass
Calculate m/z
272.17763
Sum Composition
FA 18:6
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)
JZJQZDPGIZQSEA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-6,9,12,15-17H2,1H3,(H,19,20)
SMILES (Click to copy)
C(CCCC#CCC#CCC#CCCCCCC)(=O)O

Other Databases

LIPIDAT ID
5713
PubChem CID
5312681

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 319.06
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.00
Molar Refractivity 82.81

Admin

Created at
-
Updated at
25th Apr 2022