Structure Database (LMSD)

O O OH
Common Name
15-Oxo-ETE
Systematic Name
15-oxo-5Z,8Z,11Z,13E-eicosatetraenoic acid
Synonyms
LM ID
LMFA03060051
Formula
C20H30O3
Exact Mass
Calculate m/z
318.219495
Sum Composition
FA 20:5;O
Status
Active
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Hydroxy/hydroperoxyeicosatetraenoic acids [FA0306]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Oxo fatty acids [FA0106]

String Representations

InChiKey (Click to copy)
YGJTUEISKATQSM-USWFWKISSA-N
InChi (Click to copy)
InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+
SMILES (Click to copy)
C(/C/C=C\C=C\C(=O)CCCCC)=C/C/C=C\CCCC(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
Pubmed ID: 20671299

Other Databases

KEGG ID
C04577
HMDB ID
HMDB0010210
CHEBI ID
15559
LIPIDBANK ID
DFA8158
PubChem CID
5280701
SwissLipids ID
SLM:000500470
Cayman ID
34730

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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Updated at
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