Structure Database (LMSD)

Common Name
28:4(13Z,16Z,19Z,22Z)
Systematic Name
13Z,16Z,19Z,22Z-octacosatetraenoic acid
Synonyms
  • 28:4(w6)
  • 28:4n6
LM ID
LMFA01030825
Formula
C28H48O2
Exact Mass
Calculate m/z
416.36543
Sum Composition
FA 28:4
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
Homo sapiens (#9606)
Mammalia (#40674)
Long-chain and very long-chain polyunsaturated fatty acids in ocular aging and age-related macular degeneration,
J. Lipid Res, 2010
Pubmed ID: 20688753

String Representations

InChiKey (Click to copy)
LPLFLSUGEHBUTE-DOFZRALJSA-N
InChi (Click to copy)
InChI=1S/C28H48O2/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/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-27H2,1H3,(H,29,30)/b7-6-,10-9-,13-12-,16-15-
SMILES (Click to copy)
C(CCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(=O)O

Other Databases

CHEBI ID
77532
PubChem CID
52921803
SwissLipids ID
SLM:000001218

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 22
Van der Waals Molecular Volume 497.34
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 9.34
Molar Refractivity 132.98

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Created at
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Updated at
25th Apr 2022