Structure Database (LMSD)

Common Name
14R,15S-EpETrE
Systematic Name
14R,15S-epoxy-5Z,8Z,11Z-eicosatrienoic acid
Synonyms
  • 14,15-EET
LM ID
LMFA03080001
Formula
C20H32O3
Exact Mass
Calculate m/z
320.235145
Sum Composition
FA 20:4;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Epoxyeicosatrienoic acids [FA0308]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Epoxy fatty acids [FA0107]

String Representations

InChiKey (Click to copy)
JBSCUHKPLGKXKH-LLZJRKGESA-N
InChi (Click to copy)
InChI=1S/C20H32O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h4,6-7,9-10,13,18-19H,2-3,5,8,11-12,14-17H2,1H3,(H,21,22)/b6-4-,9-7-,13-10-/t18-,19+/m0/s1
SMILES (Click to copy)
C(O)(=O)CCC/C=C\C/C=C\C/C=C\C[C@H]1O[C@H]1CCCCC

Other Databases

KEGG ID
C14771
HMDB ID
HMDB0002283
CHEBI ID
132275
PubChem CID
5283201
SwissLipids ID
SLM:000501487

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 358.01
Topological Polar Surface Area 49.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 6.00
Molar Refractivity 96.58

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Created at
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Updated at
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