Structure Database (LMSD)

Common Name
(E)-octadeca-15-en-9,11,13-triynoic acid
Systematic Name
Octadeca-15E-en-9,11,13-triynoic acid
Synonyms
LM ID
LMFA01031147
Formula
C18H22O2
Exact Mass
Calculate m/z
270.16198
Sum Composition
FA 18:7
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

References

Reference
Biosynthesis and function of polyacetylenes and allied natural products. Robert E. Minto and Brenda J. Blacklock. Progress in Lipid Research. Volume 47, Dec 2007, pp. 233-306.
https://www.sciencedirect.com/science/article/pii/S0163782708000155?via%3Dihub

String Representations

InChiKey (Click to copy)
PNPJTOHNBYQMEA-ONEGZZNKSA-N
InChi (Click to copy)
InChI=1S/C18H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4H,2,11-17H2,1H3,(H,19,20)/b4-3+
SMILES (Click to copy)
C(CCCCCCCC#CC#CC#C/C=C/CC)(=O)O

Other Databases

CHEBI ID
186684
PubChem CID
21158997

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 316.42
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.78
Molar Refractivity 82.71

Admin

Created at
-
Updated at
25th Apr 2022