Structure Database (LMSD)

Common Name
16-HETE
Systematic Name
(5Z,8Z,11Z,14Z)-16-hydroxyicosa-5,8,11,14-tetraenoic acid
Synonyms
  • (5Z,8Z,11Z,14Z)-16-hydroxyeicosa-5,8,11,14-tetraenoic acid
  • (all-cis)-16-hydroxy-5,8,11,14-eicosatetraenoic acid
  • (all-cis)-16-hydroxy-5,8,11,14-icosatetraenoic acid
  • 16-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid
LM ID
LMFA03060105
Formula
C20H32O3
Exact Mass
Calculate m/z
320.235145
Sum Composition
FA 20:4;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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)
JEKNPVYFNMZRJG-UFINWASNSA-N
InChi (Click to copy)
InChI=1S/C20H32O3/c1-2-3-16-19(21)17-14-12-10-8-6-4-5-7-9-11-13-15-18-20(22)23/h4-5,8-11,14,17,19,21H,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(CC(O)=O)C/C=C\C/C=C\C/C=C\C/C=C\C(O)CCCC

Other Databases

CHEBI ID
63994
PubChem CID
6442739
SwissLipids ID
SLM:000501494
Cayman ID
10010635
GuidePharm ID
6923

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
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Updated at
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