Structure Database (LMSD)

Common Name
Liagoric acid
Systematic Name
Octadeca-7Z,9Z,12Z-trien-5-ynoic acid
Synonyms
LM ID
LMFA01031261
Formula
C18H26O2
Exact Mass
Calculate m/z
274.19328
Sum Composition
FA 18:5
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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ganonema farinosum (#259039)
Florideophyceae (#2806)
Toxic acetylene-containing lipids from the red marine alga Liagora farinosa lamouroux,
Tetrahedron Letts, 1980

String Representations

InChiKey (Click to copy)
ZHPHSHNAYWIUFY-NOVKEFSLSA-N
InChi (Click to copy)
InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-12H,2-5,8,15-17H2,1H3,(H,19,20)/b7-6-,10-9-,12-11-
SMILES (Click to copy)
C(CCCC#C/C=C\C=C/C/C=C\CCCCC)(=O)O

Other Databases

PubChem CID
21669830

Calculated Physicochemical Properties

Heavy Atoms 20
Rings
Aromatic Rings
Rotatable Bonds 10
Van der Waals Molecular Volume 321.70
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.88
Molar Refractivity 85.44

Admin

Created at
28th Sep 2021
Updated at
25th Apr 2022