Structure Database (LMSD)

Common Name
11S-HETE
Systematic Name
11S-hydroxy-5Z,8Z,12E,14Z-eicosatetraenoic acid
Synonyms
LM ID
LMFA03060003
Formula
Exact Mass
Calculate m/z
320.235146
Sum Composition
Status
Curated


Classification

Biological Context

11(S)-HETE is an oxylipin and the (S) enantiomer of 11(R)-HETE . It is formed non-enzymatically from arachidonic acid .1 Levels of 11(S)-HETE are higher than those of 11(R)-HETE in isolated human plasma and serum and in LPS-stimulated isolated human plasma. Serum labels of 11(S)-HETE decrease in patients with allergic rhinitis after one year of double-mite subcutaneous immunotherapy (DM-SCIT) and are associated with an improved quality of life in regards to rhinoconjunctivitis.2

This information has been provided by Cayman Chemical

References

String Representations

InChiKey (Click to copy)
GCZRCCHPLVMMJE-YZGNWCGPSA-N
InChi (Click to copy)
InChI=1S/C20H32O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b9-6-,10-7-,14-11-,16-13+/t19-/m1/s1
SMILES (Click to copy)
C(O)(=O)CCC/C=C\C/C=C\C[C@H](O)/C=C/C=C\CCCCC

Other Databases

CHEBI ID
LIPIDBANK ID
DFA8135
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 367.73
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 5.47
Molar Refractivity 97.94

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Updated at
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