Structure Database (LMSD)

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





Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

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

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