Structure Database (LMSD)

Common Name
(+/-)13,14-DiHDoTrE
Systematic Name
13,14-dihydroxy-7Z,10Z,16Z-docosatrienoic acid
Synonyms
  • (+/-)13,14-DHDT
  • (+/-)13,14-Dihydroxydocosatrienoic Acid
LM ID
LMFA04000116
Formula
C22H38O4
Exact Mass
Calculate m/z
366.277011
Sum Composition
FA 22:3;O2
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)
Adrenic Acid-Derived Epoxy Fatty Acids Are Naturally Occurring Lipids and Their Methyl Ester Prodrug Reduces Endoplasmic Reticulum Stress and Inflammatory Pain.,
ACS Omega, 2021
Pubmed ID: 33748630

String Representations

InChiKey (Click to copy)
INSGBWYBEGXSDL-AIVBDBLXSA-N
InChi (Click to copy)
InChI=1S/C22H38O4/c1-2-3-4-5-11-14-17-20(23)21(24)18-15-12-9-7-6-8-10-13-16-19-22(25)26/h6-7,11-12,14-15,20-21,23-24H,2-5,8-10,13,16-19H2,1H3,(H,25,26)/b7-6-,14-11-,15-12-
SMILES (Click to copy)
C(CCCCC/C=C\C/C=C\CC(O)C(O)C/C=C\CCCCC)(=O)O

Other Databases

Cayman ID
38938

Calculated Physicochemical Properties

Heavy Atoms 26
Rings
Aromatic Rings
Rotatable Bonds 17
Van der Waals Molecular Volume 413.76
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 5.74
Molar Refractivity 109.17

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Created at
27th Mar 2025
Updated at
27th Mar 2025