Structure Database (LMSD)

Common Name
7,10,11S-bis alpha-dihomo TrXA5
Systematic Name
7,10,11S-trihydroxy-4Z,7Z,11E,16Z,19Z-docosapentaenoic acid
Synonyms
  • 7,10,11-bis alpha-dihomo Trioxilin A5
LM ID
LMFA04000128
Formula
C22H34O5
Exact Mass
Calculate m/z
378.240626
Sum Composition
FA 22:5;O3
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Docosanoids [FA04]
Other Docosanoids [FA0400]
Fatty Acids and Conjugates [FA01]
Hydroxy fatty acids [FA0105]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rattus norvegicus (#10116)
Mammalia (#40674)
Docosahexaenoic acid causes accumulation of free arachidonic acid in rat pineal gland and hippocampus to form hepoxilins from both substrates.,
Biochim Biophys Acta, 1997
Pubmed ID: 9219915

String Representations

InChiKey (Click to copy)
SQSOBCPIUJGAOW-DSGDQWOVSA-N
InChi (Click to copy)
InChI=1S/C22H34O5/c1-2-3-4-5-6-7-8-9-12-15-20(24)21(25)18-17-19(23)14-11-10-13-16-22(26)27/h3-4,6-7,9-12,17-21,23-25H,2,5,8,13-16H2,1H3,(H,26,27)/b4-3-,7-6-,11-10-,12-9-,18-17+/t19?,20-,21?/m0/s1
SMILES (Click to copy)
C(CC/C=C\CC(O)/C=C/C(O)[C@@H](O)C/C=C\C/C=C\C/C=C\CC)(=O)O

Other Databases

PubChem CID
101709680

Calculated Physicochemical Properties

Heavy Atoms 27
Rings
Aromatic Rings
Rotatable Bonds 15
Van der Waals Molecular Volume 417.27
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 4.54
Molar Refractivity 110.89

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Created at
6th Nov 2025
Updated at
6th Nov 2025