Structure Database (LMSD)

Common Name
5-Oxo-ETE
Systematic Name
5-oxo-6E,8Z,11Z,14Z-eicosatetraenoic acid
Synonyms
LM ID
LMFA03060011
Status
Active
Exact Mass
Calculate m/z
318.219495
Formula
Abbrev




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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)
MEASLHGILYBXFO-XTDASVJISA-N
InChi (Click to copy)
InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+
SMILES (Click to copy)
C(O)(=O)CCCC(=O)/C=C/C=C\C/C=C\C/C=C\CCCCC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Metabolism of 5(S)-hydroxy-6,8,11,14-eicosatetraenoic acid and other 5(S)-hydroxyeicosanoids by a specific dehydrogenase in human polymorphonuclear leukocytes.,
J Biol Chem, 1992
Pubmed ID: 1326548

Other Databases

KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA8156
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 365.09
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.40
Molar Refractivity 96.43

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Created at
-
Updated at
2nd Mar 2022