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
Active
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
Aromatic Rings
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