Structure Database (LMSD)

Common Name
3Z,6Z,9Z,12Z,15Z-octadecapentaenoic acid
Systematic Name
3Z,6Z,9Z,12Z,15Z-octadecapentaenoic acid
Synonyms
  • C18:5n-3,6,9,12,15
LM ID
LMFA01030360
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]

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
Dinophyceae (#2864)
Occurrence of fatty acid chlorohydrins in jellyfish lipids,
Biochemistry, 1977
Pubmed ID: 20944

String Representations

InChiKey (Click to copy)
LYJOUWBWJDKKEF-JLNKQSITSA-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/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,13-12-,16-15-
SMILES (Click to copy)
C(C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(=O)O

Other Databases

LIPIDAT ID
5670
PubChem CID
5312511
Cayman ID
10009731

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 321.70
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.21
Molar Refractivity 86.71

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Created at
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Updated at
25th Apr 2022