Structure Database (LMSD)

OH OH OH OH O
Common Name
20-hydroxy LTB4
Systematic Name
5S,12R,20-trihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acid
Synonyms
  • 20-hydroxy Leukotriene B4
LM ID
LMFA03020018
Formula
C20H32O5
Exact Mass
Calculate m/z
352.224975
Sum Composition
FA 20:4;O3
Status
Active
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Leukotrienes [FA0302]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
PTJFJXLGRSTECQ-PSPARDEHSA-N
InChi (Click to copy)
InChI=1S/C20H32O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,18-19,21-23H,1-2,6,10-12,15-17H2,(H,24,25)/b5-4+,7-3-,13-8+,14-9-/t18-,19-/m1/s1
SMILES (Click to copy)
C([C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(O)=O)/C=C\CCCCCO

References

Other Databases

KEGG ID
C04853
HMDB ID
HMDB0001509
CHEBI ID
15646
LIPIDBANK ID
XPR3120
PubChem CID
5280745
SwissLipids ID
SLM:000390029
Cayman ID
20190
GuidePharm ID
3399

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 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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