Structure Database (LMSD)

Common Name
(+/-)5,6-EpETrE
Systematic Name
5,6-epoxy-8Z,11Z,14Z-eicosatrienoic acid
Synonyms
  • 5,6-EET
LM ID
LMFA03080002
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
View MassBank spectra
View ion mobility data

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]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
Pubmed ID: 20671299

String Representations

InChiKey (Click to copy)
VBQNSZQZRAGRIX-QNEBEIHSSA-N
InChi (Click to copy)
InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-
SMILES (Click to copy)
C(/C=C\CC1OC1CCCC(=O)O)/C=C\C/C=C\CCCCC

Other Databases

KEGG ID
C14768
HMDB ID
HMDB0002190
CHEBI ID
34450
LIPIDBANK ID
DFA8110
PubChem CID
5283202
SwissLipids ID
SLM:000501492
GuidePharm ID
6304

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

Admin

Created at
-
Updated at
-