LIPID MAPS

Structure Database (LMSD)

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Common Name

5,6-Ep-15S-HETE

Systematic Name

5S,6S-epoxy-15S-hydroxy-7E,9E,11Z,13E-eicosatetraenoic acid

Synonyms

LM ID

LMFA03060075

Formula

C₂₀H₃₀O₄

Exact Mass

Calculate m/z

334.21441

Sum Composition

FA 20:5;O2

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

YNHSGCYEQVDEOY-UZDWIPAXSA-N

InChi (Click to copy)

InChI=1S/C20H30O4/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18-19(24-18)15-11-16-20(22)23/h4-7,9-10,13-14,17-19,21H,2-3,8,11-12,15-16H2,1H3,(H,22,23)/b6-4-,7-5+,13-9+,14-10+/t17-,18-,19-/m0/s1

SMILES (Click to copy)

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

References

Other Databases

KEGG ID

C14815

CHEBI ID

64095

PubChem CID

11954060

Calculated Physicochemical Properties

Heavy Atoms 24

Rings 1

Aromatic Rings 0

Rotatable Bonds 13

Van der Waals Molecular Volume 364.16

Topological Polar Surface Area 70.06

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 4

logP 5.03

Molar Refractivity 98.39

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