LIPID MAPS

Structure Database (LMSD)

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Common Name

(11S,12R)-Ep-15S-HETrE

Systematic Name

11S,12R-epoxy-15S-hydroxy-5Z,8Z,13E-eicosatrienoic acid

Synonyms

LM ID

LMFA03080023

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

Main

Classification

String Representations

InChiKey (Click to copy)

GELFSVXLSDZDHE-CHDPIHKSSA-N

InChi (Click to copy)

InChI=1S/C20H32O4/c1-2-3-9-12-17(21)15-16-19-18(24-19)13-10-7-5-4-6-8-11-14-20(22)23/h4,6-7,10,15-19,21H,2-3,5,8-9,11-14H2,1H3,(H,22,23)/b6-4-,10-7-,16-15+/t17-,18-,19-/m0/s1

SMILES (Click to copy)

C(CCC/C=C\C/C=C\C[C@@H]1O[C@H]1/C=C/[C@@H](O)CCCCC)(=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

134812179

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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