Structure Database (LMSD)

Common Name
(13R,14R)-Ep-15S-HETrE
Systematic Name
13R,14R-epoxy-15S-hydroxy-5Z,8Z,11Z-eicosatrienoic acid
Synonyms
LM ID
LMFA03080024
Status
Active
Exact Mass
Calculate m/z
336.23006
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)
KNJWDUHQLSDUOA-SJLPXBNNSA-N
InChi (Click to copy)
InChI=1S/C20H32O4/c1-2-3-11-14-17(21)20-18(24-20)15-12-9-7-5-4-6-8-10-13-16-19(22)23/h5-8,12,15,17-18,20-21H,2-4,9-11,13-14,16H2,1H3,(H,22,23)/b7-5-,8-6-,15-12-/t17-,18-,20-/m1/s1
SMILES (Click to copy)
C(CCC/C=C\C/C=C\C/C=C\[C@H]1O[C@@H]1[C@@H](CCCCC)O)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Saprolegnia parasitica (#101203)
Biosynthesis of oxylipins in non-mammals.,
Prog Lipid Res, 2009
Pubmed ID: 19268690

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 366.80
Topological Polar Surface Area 70.06
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 5.26
Molar Refractivity 98.49

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Updated at
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