Structure Database (LMSD)

Common Name
20-oxo-leukotriene B4
Systematic Name
(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-20-oxoicosa-6,8,10,14-tetraenoic acid
Synonyms
LM ID
LMFA03020064
Formula
C20H30O5
Exact Mass
Calculate m/z
350.209325
Sum Composition
FA 20:5;O3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Purification and characterization of recombinant human neutrophil leukotriene B4 omega-hydroxylase (cytochrome P450 4F3).,
Arch Biochem Biophys, 1998
Pubmed ID: 9675028

String Representations

InChiKey (Click to copy)
LVLQYGYNBVIONY-PSPARDEHSA-N
InChi (Click to copy)
InChI=1S/C20H30O5/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/h3-5,7-9,13-14,17-19,22-23H,1-2,6,10-12,15-16H2,(H,24,25)/b5-4+,7-3-,13-8+,14-9-/t18-,19-/m1/s1
SMILES (Click to copy)
C(/C=C\CCCCC=O)[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O

Other Databases

HMDB ID
HMDB0012641
CHEBI ID
63979
PubChem CID
6449839
SwissLipids ID
SLM:000501202

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 382.67
Topological Polar Surface Area 94.83
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 3.91
Molar Refractivity 100.23

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Created at
-
Updated at
24th Mar 2023