Structure Database (LMSD)

Common Name
(10Z,14E,16E)-10,14,16-Octadecatrien-12-ynoic acid
Systematic Name
(10Z,14E,16E)-10,14,16-Octadecatrien-12-ynoic acid
Synonyms
LM ID
LMFA01030919
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
Ximenia americana (#50174)
Magnoliopsida (#3398)
C(18) acetylenic fatty acids of Ximenia americana with potential pesticidal activity.,
J Agric Food Chem, 2000
Pubmed ID: 10820107

String Representations

InChiKey (Click to copy)
KDVOULUCGQGVQH-IUDSIRJBSA-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/h2-5,8-9H,10-17H2,1H3,(H,19,20)/b3-2+,5-4+,9-8-
SMILES (Click to copy)
C(/C)=C\C=C\C#C/C=C\CCCCCCCCC(=O)O

Other Databases

HMDB ID
HMDB0035963
CHEBI ID
191493
PubChem CID
10731060
PlantFA ID
10506

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 4.88
Molar Refractivity 85.44

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Created at
-
Updated at
25th Apr 2022