Structure Database (LMSD)

Common Name
12S-HETE
Systematic Name
12S-hydroxy-5Z,8Z,10E,14Z-eicosatetraenoic acid
Synonyms
  • 12-HETE
LM ID
LMFA03060007
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-LQWMCKPYSA-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(/CCCC(=O)O)=C/C/C=C\C=C\[C@@H](O)C/C=C\CCCCC

References

Other Databases

Wikipedia
KEGG ID
CHEBI ID
LIPIDBANK ID
DFA8138
PubChem CID
SwissLipids ID
Cayman ID

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
-
Updated at
21st Nov 2021