Structure Database (LMSD)

Common Name
11R-HETE
Systematic Name
11R-hydroxy-5Z,8Z,12E,14Z-eicosatetraenoic acid
Synonyms
  • 11(R)-HETE
LM ID
LMFA03060028
Status
Active
Exact Mass
Calculate m/z
320.235145
Formula
Abbrev


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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)
GCZRCCHPLVMMJE-WXMXURGXSA-N
InChi (Click to copy)
InChI=1S/C20H32O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b9-6-,10-7-,14-11-,16-13+/t19-/m0/s1
SMILES (Click to copy)
C(/C[C@@H](O)/C=C/C=C\CCCCC)=C/C/C=C\CCCC(=O)O

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
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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Updated at
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