Structure Database (LMSD)

Common Name
20-HETE
Systematic Name
20-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid
Synonyms
  • 20-hydroxy Arachidonic Acid
LM ID
LMFA03060009
Formula
C20H32O3
Exact Mass
Calculate m/z
320.235145
Sum Composition
FA 20:4;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]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
NNDIXBJHNLFJJP-DTLRTWKJSA-N
InChi (Click to copy)
InChI=1S/C20H32O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6-7,9-10,12,21H,2,5,8,11,13-19H2,(H,22,23)/b3-1-,6-4-,9-7-,12-10-
SMILES (Click to copy)
C(O)(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCO

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
C14748
HMDB ID
HMDB0005998
CHEBI ID
34306
LIPIDBANK ID
DFA8141
PubChem CID
5283157
SwissLipids ID
SLM:000000849
Cayman ID
90030
GuidePharm ID
4103

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
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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