Structure Database (LMSD)

Common Name
Lipoxin A4-d5
Systematic Name
5S,6R,15S-trihydroxy-7E,9E,11Z,13E-eicosatetraenoic-19,19,20,20,20-d5 acid
Synonyms
  • LXA4-d5
  • 5S,6R-LipoxinA4-d5
  • 5(S),6(R),15(S)-TriHETE-d5
LM ID
LMFA03040013
Formula
C20H27D5O5
Exact Mass
Calculate m/z
357.256359
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Lipoxins [FA0304]
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)
IXAQOQZEOGMIQS-YUMLLTTFSA-N
InChi (Click to copy)
InChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,17-19,21-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,13-9+,14-10+/t17-,18+,19-/m0/s1/i1D3,2D2
SMILES (Click to copy)
C(/C=C/C=C/[C@@H](O)[C@@H](O)CCCC(O)=O)=C/C=C/[C@@H](O)CCCC([2H])([2H])C([2H])([2H])[2H]

Other Databases

PubChem CID
139291900
Cayman ID
10007737

Calculated Physicochemical Properties

Heavy Atoms 25
Rings
Aromatic Rings
Rotatable Bonds 14
Van der Waals Molecular Volume 385.31
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 3.99
Molar Refractivity 101.75

Admin

Created at
4th Dec 2024
Updated at
5th Dec 2024