Structure Database (LMSD)

Common Name
(+/-)13,14-EDT
Systematic Name
13,14-epoxy-7Z,10Z,16Z-docosatrienoic acid
Synonyms
  • rel-12-[(2R,3S)-3-(2Z)-2-octen-1-yl-2-oxiranyl]-7Z,10Z-dodecadienoic acid
  • (+/-)-Dihomo-13,14-EET
  • (+/-)13,14-EpDoTrE
  • (+/-)13,14-Epoxydocosatrienoic Acid
LM ID
LMFA04000117
Formula
C22H36O3
Exact Mass
Calculate m/z
348.266446
Sum Composition
FA 22:4;O
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]
Epoxy fatty acids [FA0107]
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)
UVNNQFJWBKVIOH-AIVBDBLXSA-N
InChi (Click to copy)
InChI=1S/C22H36O3/c1-2-3-4-5-11-14-17-20-21(25-20)18-15-12-9-7-6-8-10-13-16-19-22(23)24/h6-7,11-12,14-15,20-21H,2-5,8-10,13,16-19H2,1H3,(H,23,24)/b7-6-,14-11-,15-12-
SMILES (Click to copy)
C(CCCCC/C=C\C/C=C\CC1OC1C/C=C\CCCCC)(=O)O

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings
Rotatable Bonds 16
Van der Waals Molecular Volume 392.61
Topological Polar Surface Area 49.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 6.78
Molar Refractivity 105.82

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