Structure Database (LMSD)

OH OH O
Common Name
5S-HETE
Systematic Name
5S-hydroxy-6E,8Z,11Z,14Z-eicosatetraenoic acid
Synonyms
  • 5-HETE
LM ID
LMFA03060002
Formula
Exact Mass
Calculate m/z
320.235145
Sum Composition
Status
Active



Main

Classification

String Representations

InChiKey (Click to copy)
KGIJOOYOSFUGPC-JGKLHWIESA-N
InChi (Click to copy)
InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16,19,21H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+/t19-/m1/s1
SMILES (Click to copy)
C(O)(=O)CCC[C@H](O)/C=C/C=C\C/C=C\C/C=C\CCCCC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Oryctolagus cuniculus (#9986)
Mammalia (#40674)
Transformation of arachidonic acid and homo-gamma-linolenic acid by rabbit polymorphonuclear leukocytes. Monohydroxy acids from novel lipoxygenases.,
J Biol Chem, 1976
Pubmed ID: 826538

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA8129
PubChem CID
SwissLipids ID
Cayman ID
GuidePharm 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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Created at
-
Updated at
3rd Feb 2022