Structure Database (LMSD)

Common Name
ethyl 5R,6R-epoxy-7-eicosynoate
Systematic Name
ethyl 5R,6R-epoxy-eicos-7-ynoate
Synonyms
LM ID
LMFA01070042
Status
Active
Exact Mass
Calculate m/z
350.282095
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
LZAQRTYTZUGVMN-NHCUHLMSSA-N
InChi (Click to copy)
InChI=1S/C22H38O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-20-21(25-20)18-16-19-22(23)24-4-2/h20-21H,3-14,16,18-19H2,1-2H3/t20-,21-/m1/s1
SMILES (Click to copy)
C([C@H]1O[C@@H]1C#CCCCCCCCCCCCC)CCC(OCC)=O

References

Reference
Epoxy Acetylenic Lipids: Their analogues and derivatives. Dmitry V. Kuklev and Valery Dembitsky. Progress in Lipid Research, Volume 56, 2014, pp. 67-91.

https://www.sciencedirect.com/science/article/pii/S0163782714000423

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Epoxy acetylenic lipids: their analogues and derivatives.,
Prog Lipid Res, 2014
Pubmed ID: 25193612

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 395.25
Topological Polar Surface Area 38.83
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
logP 6.66
Molar Refractivity 104.90

Admin

Created at
-
Updated at
-