Structure Database (LMSD)

Common Name
11,12-epoxy-8-hydroxyeicosa-5,9,14-trienoic acid
Systematic Name
11R,12S-epoxy-8-hydroxy-5Z,9E,14Z-eicosatrienoic acid
Synonyms
  • (5Z,9E,14Z)-(11R,12S)-11,12-Epoxy-8-hydroxyicosa-5,9,14-trienoate
  • (5Z,9E,14Z)-(11R,12S)-11,12-epoxy-8-hydroxyeicosa-5,9,14-trienoic acid
LM ID
LMFA03080012
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

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Epoxyeicosatrienoic acids [FA0308]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]
Epoxy fatty acids [FA0107]

String Representations

InChiKey (Click to copy)
SGTUOBURCVMACZ-CIQDQOFUSA-N
InChi (Click to copy)
InChI=1S/C20H32O4/c1-2-3-4-5-6-10-13-18-19(24-18)16-15-17(21)12-9-7-8-11-14-20(22)23/h6-7,9-10,15-19,21H,2-5,8,11-14H2,1H3,(H,22,23)/b9-7-,10-6-,16-15+/t17?,18-,19+/m0/s1
SMILES (Click to copy)
C(=C/C(O)C/C=C\CCCC(O)=O)\[C@H]1O[C@H]1C/C=C\CCCCC

Other Databases

KEGG ID
C04849
HMDB ID
HMDB0004688
CHEBI ID
15631
PubChem CID
5460414

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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Created at
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Updated at
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