Structure Database (LMSD)

Common Name
5E-Octadecene-7,9-diynoic acid
Systematic Name
5E-Octadecene-7,9-diynoic acid
Synonyms
LM ID
LMFA01030737
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]
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

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Paramacrolobium coeruleum (#162869)
Magnoliopsida (#3398)
Novel Acetylenic Acids from the Root Bark of Paramacrolobium caeruleum: Inhibitors of 3-Hydroxy-3-methyl-glutaryl Coenzyme A Reductase,
J. Nat. Prod., 1989

String Representations

InChiKey (Click to copy)
IGVKWAAPMVVTFX-BUHFOSPRSA-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/h13-14H,2-8,15-17H2,1H3,(H,19,20)/b14-13+
SMILES (Click to copy)
C(CCC/C=C/C#CC#CCCCCCCCC)(=O)O

Other Databases

LIPIDAT ID
5732
PubChem CID
9543636
PlantFA ID
10496
GuidePharm ID
2963

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
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 4.55
Molar Refractivity 84.17

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Created at
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Updated at
25th Apr 2022