Structure Database (LMSD)

Common Name
11E,13Z-Octadecadienoic acid
Systematic Name
11E,13Z-Octadecadienoic acid
Synonyms
LM ID
LMFA01031279
Formula
C18H32O2
Exact Mass
Calculate m/z
280.24023
Sum Composition
FA 18:2
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
Rattus norvegicus (#10116)
Mammalia (#40674)
Trans-vaccenate is Δ13-desaturated by FADS3 in rodents.,
J Lipid Res, 2013
Pubmed ID: 24070791

String Representations

InChiKey (Click to copy)
JGFMXQLVWUGIPI-IGTJQSIKSA-N
InChi (Click to copy)
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-8H,2-4,9-17H2,1H3,(H,19,20)/b6-5-,8-7+
SMILES (Click to copy)
C(CCCCCCCCC/C=C/C=C\CCCC)(=O)O

Other Databases

PubChem CID
9921789

Calculated Physicochemical Properties

Heavy Atoms 20
Rings
Aromatic Rings
Rotatable Bonds 14
Van der Waals Molecular Volume 329.62
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.88
Molar Refractivity 86.99

Admin

Created at
16th Jan 2023
Updated at
16th Jan 2023