Structure Database (LMSD)

Common Name
12S-hydroxy-5E,8Z,10Z,14Z-eicosatetraenoic acid
Systematic Name
12S-hydroxy-5E,8Z,10Z,14Z-eicosatetraenoic acid
Synonyms
  • 5,8,10,14-Eicosatetraenoic acid, 12-hydroxy-, [S-(E,Z,Z,Z)]-
  • 12(S)-5,8,10,14-Hydroxyeicosatetraenoic acid
  • 12(S)-HETE
  • 12-HETE
  • 12-Hydroxy-5,8,10,14-eicosatetraenoic acid
  • 12-Hydroxyeicosatetraenoic acid
  • 12-L-Hydroxy-5,8,10,14-eicosatetraenoic acid
  • 12S-
LM ID
LMFA03060064
Status
Active
Exact Mass
Calculate m/z
320.235145
Formula
Abbrev


Download as...
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)
ZNHVWPKMFKADKW-JKNRQTOGSA-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-/t19-/m0/s1
SMILES (Click to copy)
C(CCC/C=C/C/C=C\C=C/[C@@H](O)C/C=C\CCCCC)(=O)O

References

Other Databases

LIPIDAT ID
4649
HMDB ID
CHEBI ID
PubChem CID

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

Admin

Created at
-
Updated at
-