Structure Database (LMSD)

OH O OH OH OH
Common Name
epi-Lipoxin B4
Systematic Name
5S,14R,15R-trihydroxy-6E,8Z,10E,12E-eicosatetraenoic acid
Synonyms
  • epi-LXB4
LM ID
LMFA03040007
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

Main

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]

String Representations

InChiKey (Click to copy)
UXVRTOKOJOMENI-SKYGSKSRSA-N
InChi (Click to copy)
InChI=1S/C20H32O5/c1-2-3-8-14-18(22)19(23)15-10-7-5-4-6-9-12-17(21)13-11-16-20(24)25/h4-7,9-10,12,15,17-19,21-23H,2-3,8,11,13-14,16H2,1H3,(H,24,25)/b6-4-,7-5+,12-9+,15-10+/t17-,18-,19-/m1/s1
SMILES (Click to copy)
C(/C=C/[C@@H](O)CCCC(O)=O)=C/C=C/C=C/[C@@H](O)[C@H](O)CCCCC

References

Other Databases

CHEBI ID
63991
PubChem CID
9928453

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
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

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Created at
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Updated at
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