Structure Database (LMSD)

Common Name
Shibic acid
Systematic Name
11Z,14Z,17Z,20Z,23Z-hexacosapentaenoic acid
Synonyms
  • 26:5(w3)
  • 26:5n3
LM ID
LMFA01030831
Formula
C26H42O2
Exact Mass
Calculate m/z
386.31848
Sum Composition
FA 26:5
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
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)
HIFHGEKXHBBCMU-JLNKQSITSA-N
InChi (Click to copy)
InChI=1S/C26H42O2/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/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-25H2,1H3,(H,27,28)/b4-3-,7-6-,10-9-,13-12-,16-15-
SMILES (Click to copy)
C(CCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(=O)O

Other Databases

CHEBI ID
77368
PubChem CID
52921807
SwissLipids ID
SLM:000001215

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 460.10
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 8.33
Molar Refractivity 123.65

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Created at
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Updated at
25th Apr 2022