Structure Database (LMSD)

Common Name
17S-HDHA-d5
Systematic Name
17S-hydroxy-4Z,7Z,10Z,13Z,15E,19Z-docosahexaenoic-21,21,22,22,22-d5 acid
Synonyms
  • 17(S)-hydroxy DHA-d5
  • 17(S)-hydroxy Docosahexaenoic Acid-d5
  • 17(S)-HDoHE-d5
LM ID
LMFA04000108
Formula
C22H27D5O3
Exact Mass
Calculate m/z
349.266529
Status
Active
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]
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)
SWTYBBUBEPPYCX-AKDROTNYSA-N
InChi (Click to copy)
InChI=1S/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,5-8,11-16,19,21,23H,2,4,9-10,17-18,20H2,1H3,(H,24,25)/b7-5-,8-6-,13-11-,14-12-,15-3-,19-16+/t21-/m0/s1/i1D3,2D2
SMILES (Click to copy)
C(CC/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@@H](O)C/C=C\C([2H])([2H])C([2H])([2H])[2H])(=O)O

Other Databases

PubChem CID
162640733
Cayman ID
29797

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 397.05
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 5.81
Molar Refractivity 106.99

Admin

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