Structure Database (LMSD)

Common Name
12-hydroxy-5E,8Z,10Z,14Z-eicosatetraenoic acid
Systematic Name
12-hydroxy-5E,8Z,10Z,14Z-eicosatetraenoic acid
Synonyms
  • 5,8,10,14-Eicosatetraenoic acid, 12-hydroxy-, (E,Z,Z,Z)-
  • 12-HETE
  • 12-Hydroxy-5,8,10,14-eicosatetraenoic acid
  • 12-Hydroxyeicosatetraenoic acid
LM ID
LMFA03060063
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

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)
ZNHVWPKMFKADKW-FYMOKONMSA-N
InChi (Click to copy)
InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7+,11-8-,13-10-,17-14-
SMILES (Click to copy)
C(CCC/C=C/C/C=C\C=C/C(O)C/C=C\CCCCC)(=O)O

References

Other Databases

LIPIDAT ID
4648
HMDB ID
HMDB0006111
PubChem CID
5312983

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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