LIPID MAPS

Structure Database (LMSD)

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Common Name

8(9)-EpETrE-EA

Systematic Name

N-((+/-)-8(9)-epoxy-5Z,11Z,14Z-eicosatrienoyl)-ethanolamine

Synonyms

LM ID

LMFA08040033

Formula

C₂₂H₃₇NO₃

Exact Mass

Calculate m/z

363.277344

Sum Composition

NAE 20:4;O

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

BXHPMUQFGGSDAK-TYAUOURKSA-N

InChi (Click to copy)

InChI=1S/C22H37NO3/c1-2-3-4-5-6-7-8-9-12-15-20-21(26-20)16-13-10-11-14-17-22(25)23-18-19-24/h6-7,9-10,12-13,20-21,24H,2-5,8,11,14-19H2,1H3,(H,23,25)/b7-6-,12-9-,13-10-

SMILES (Click to copy)

C(CCC/C=C\CC1OC1C/C=C\C/C=C\CCCCC)(=O)NCCO

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Rattus norvegicus (#10116)

Mammalia (#40674)

Inflammatory hyperalgesia induces essential bioactive lipid production in the spinal cord.,
J Neurochem, 2010

Pubmed ID: 20492349

Other Databases

HMDB ID

HMDB0013659

CHEBI ID

136989

PubChem CID

16061182

Calculated Physicochemical Properties

Heavy Atoms 26

Rings 1

Aromatic Rings 0

Rotatable Bonds 16

Van der Waals Molecular Volume 403.61

Topological Polar Surface Area 61.86

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 4

logP 5.59

Molar Refractivity 110.02

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Created at

Updated at

7th Feb 2024