LIPID MAPS

Structure Database (LMSD)

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Common Name

(13R,14R)-Ep-15S-HETrE

Systematic Name

13R,14R-epoxy-15S-hydroxy-5Z,8Z,11Z-eicosatrienoic acid

Synonyms

LM ID

LMFA03080024

Formula

C₂₀H₃₂O₄

Exact Mass

Calculate m/z

336.23006

Sum Composition

FA 20:4;O2

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

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

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

Other Databases

PubChem CID

134812180

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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