Structure Database (LMSD)
Common Name
methyl 5R,6R-epoxy-9E-eicosen-7-ynoate
Systematic Name
methyl 5R,6R-epoxy-9E-eicosen-7-ynoate
Synonyms
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
IFPYWNUVVZGOJV-OKLSWEBGSA-N
InChi (Click to copy)
InChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-20(24-19)17-15-18-21(22)23-2/h12-13,19-20H,3-11,15,17-18H2,1-2H3/b13-12+/t19-,20-/m1/s1
SMILES (Click to copy)
C([C@H]1O[C@@H]1C#C/C=C/CCCCCCCCCC)CCC(OC)=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
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
Prog Lipid Res, 2014
Pubmed ID:
25193612
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
1
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
375.31
Topological Polar Surface Area
38.83
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
3
logP
5.76
Molar Refractivity
99.70
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Updated at
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