Structure Database (LMSD)

Common Name
28:3(5Z,9Z,21Z)
Systematic Name
5Z,9Z,21Z-octacosatrienoic acid
Synonyms
  • C28:3n-7,19,23
LM ID
LMFA01030878
Formula
C28H50O2
Exact Mass
Calculate m/z
418.38108
Sum Composition
FA 28:3
Status
Curated
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
Trikentrion (#484443)
Demospongiae (#6042)
Non-methylene-interrupted fatty acids from marine invertebrates: Occurrence, characterization and biological properties.,
Biochimie, 2009
Pubmed ID: 19376188

String Representations

InChiKey (Click to copy)
RDFXKQGVRMEZRJ-QVLUYBMUSA-N
InChi (Click to copy)
InChI=1S/C28H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30/h7-8,19-20,23-24H,2-6,9-18,21-22,25-27H2,1H3,(H,29,30)/b8-7-,20-19-,24-23-
SMILES (Click to copy)
C(CCC/C=C\CC/C=C\CCCCCCCCCC/C=C\CCCCCC)(=O)O

Other Databases

CHEBI ID
168889
PubChem CID
52921843

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 23
Van der Waals Molecular Volume 499.98
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 9.56
Molar Refractivity 133.07

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Created at
-
Updated at
25th Apr 2022