Structure Database (LMSD)

Common Name
15-oxo-LXA4
Systematic Name
15-oxo-5S,6R-dihydroxy-7E,9E,11Z,13E-eicosatetraenoic acid
Synonyms
  • 15-keto-Lipoxin A4
  • 15-keto-LXA4
LM ID
LMFA03040009
Status
Active
Exact Mass
Calculate m/z
350.209325
Formula
C20H30O5
Abbrev
FA 20:5;O3
Show lipids differing only in stereochemistry/bond geometry
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Lipoxins [FA0304]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Oxo fatty acids [FA0106]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
KMQGFEBCBYXSPZ-OABWHSJTSA-N
InChi (Click to copy)
InChI=1S/C20H30O5/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/h4-7,9-10,13-14,18-19,22-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,13-9+,14-10+/t18-,19+/m1/s1
SMILES (Click to copy)
C(/C=C/C=C/[C@@H](O)[C@@H](O)CCCC(O)=O)=C/C=C/C(=O)CCCCC

References

Other Databases

CHEBI ID
63992
PubChem CID
52921886
SwissLipids ID
SLM:000389596

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 382.67
Topological Polar Surface Area 94.83
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 3.91
Molar Refractivity 100.23

Admin

Created at
-
Updated at
-