Structure Database (LMSD)

Common Name
28:2(9Z,21Z)
Systematic Name
9Z,21Z-octacosadienoic acid
Synonyms
  • C28:2n-7,19
LM ID
LMFA01030877
Formula
C28H52O2
Exact Mass
Calculate m/z
420.39673
Sum Composition
FA 28:2
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)
YTXNXYICWVEHLL-BEKHICDCSA-N
InChi (Click to copy)
InChI=1S/C28H52O2/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/h7-8,19-20H,2-6,9-18,21-27H2,1H3,(H,29,30)/b8-7-,20-19-
SMILES (Click to copy)
C(CCCCCCC/C=C\CCCCCCCCCC/C=C\CCCCCC)(=O)O

Other Databases

CHEBI ID
168514
PubChem CID
52921842

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 24
Van der Waals Molecular Volume 502.62
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 9.79
Molar Refractivity 133.16

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Created at
-
Updated at
25th Apr 2022