Structure Database (LMSD)

Common Name
20-carboxy-LTB4
Systematic Name
5S,12R-dihydroxy-6Z,8E,10E,14Z-eicosatetraene-1,20-dioic acid
Synonyms
  • 20-carboxy-Leukotriene B4
LM ID
LMFA03020016
Status
Active
Exact Mass
Calculate m/z
366.20424
Formula
C20H30O6
Abbrev
FA 20:5;O4
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MDLMOL SDF CSV TSV
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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)
SXWGPVJGNOLNHT-VFLUTPEKSA-N
InChi (Click to copy)
InChI=1S/C20H30O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-8,12-13,17-18,21-22H,1,3,9-11,14-16H2,(H,23,24)(H,25,26)/b5-4+,6-2-,12-7+,13-8-/t17-,18-/m1/s1
SMILES (Click to copy)
C([C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(O)=O)/C=C\CCCCC(=O)O

References

Other Databases

KEGG ID
C05950
HMDB ID
HMDB0006059
CHEBI ID
27562
LIPIDBANK ID
XPR3118
PubChem CID
5280877
SwissLipids ID
SLM:000501203
Cayman ID
20180

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 391.46
Topological Polar Surface Area 115.06
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 3.80
Molar Refractivity 101.81

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Updated at
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