Structure Database (LMSD)

Common Name
13,14-dihydro-15-keto-LXA4
Systematic Name
15-oxo-5S,6R-dihydroxy-7E,9E,11Z-eicosatrienoic acid
Synonyms
  • 13,14-dihydro-15-keto-Lipoxin A4
LM ID
LMFA03040008
Formula
C20H32O5
Exact Mass
Calculate m/z
352.224975
Sum Composition
FA 20:4;O3
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]
Oxo fatty acids [FA0106]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
FPRPRBFSKMFXRV-JWVNNVTNSA-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/h4-7,10,14,18-19,22-23H,2-3,8-9,11-13,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,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/CCC(=O)CCCCC

Other Databases

HMDB ID
HMDB0062291
CHEBI ID
63993
PubChem CID
52921885
SwissLipids ID
SLM:000389597

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 385.31
Topological Polar Surface Area 94.83
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 4.13
Molar Refractivity 100.33

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Created at
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Updated at
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