Structure Database (LMSD)

Common Name
15S-HEPE-d5
Systematic Name
15S-hydroxy-5Z,8Z,11Z,13E,17Z-eicosapentaenoic-19,19,20,20,20-d5 acid
Synonyms
  • 15(S)-hydroxy EPA-d5
LM ID
LMFA03070062
Formula
C20H25D5O3
Exact Mass
Calculate m/z
323.250879
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Hydroxy/hydroperoxyeicosapentaenoic acids [FA0307]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Synthetic deuterated standard

String Representations

InChiKey (Click to copy)
WLKCSMCLEKGITB-SUTOMXFYSA-N
InChi (Click to copy)
InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h3-5,8-11,13-14,17,19,21H,2,6-7,12,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,13-3-,17-14+/t19-/m0/s1/i1D3,2D2
SMILES (Click to copy)
C(/C/C=C\C=C\[C@@H](O)C/C=C\C([2H])([2H])C([2H])([2H])[2H])=C/C/C=C\CCCC(=O)O

Other Databases

PubChem CID
162640801
Cayman ID
31221

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 365.09
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 5.25
Molar Refractivity 97.85

Admin

Created at
3rd Dec 2024
Updated at
5th Dec 2024