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
Status
Active
Exact Mass
Calculate m/z
352.224975
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID

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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Updated at
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