Structure Database (LMSD)

Common Name
Sebaleic acid
Systematic Name
5Z,8Z-octadecadienoic acid
Synonyms
  • C18:2n-10,13
LM ID
LMFA01030323
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]
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
Homo sapiens (#9606)
Mammalia (#40674)
The dienoic fatty acids of human skin surface lipid.,
Lipids, 1969
Pubmed ID: 5766855

String Representations

InChiKey (Click to copy)
UQQPKQIHIFHHKO-XVTLYKPTSA-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/h10-11,13-14H,2-9,12,15-17H2,1H3,(H,19,20)/b11-10-,14-13-
SMILES (Click to copy)
C(CCC/C=C\C/C=C\CCCCCCCCC)(=O)O

Other Databases

LIPIDAT ID
5537
CHEBI ID
194480
PubChem CID
5312474

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
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

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Created at
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Updated at
25th Apr 2022