Structure Database (LMSD)
Common Name
methyl 10-acetoxy-8,9-epoxy-2Z-decen-4,6-diynoate
Systematic Name
methyl 10-acetoxy-8,9-epoxy-2Z-decen-4,6-diynoate
Synonyms
LM ID
LMFA01070035
Status
Active
Exact Mass
Calculate m/z
248.068475
Formula
Abbrev
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
BNQDPVXVNJANSG-VURMDHGXSA-N
InChi (Click to copy)
InChI=1S/C13H12O5/c1-10(14)17-9-12-11(18-12)7-5-3-4-6-8-13(15)16-2/h6,8,11-12H,9H2,1-2H3/b8-6-
SMILES (Click to copy)
C(=C/C#CC#CC1OC1COC(C)=O)/C(=O)OC
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
Ericameria nauseosa
(#71039)
Magnoliopsida
(#3398)
Epoxy acetylenic lipids: their analogues and derivatives.,
Prog Lipid Res, 2014
Prog Lipid Res, 2014
Pubmed ID:
25193612
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
1
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
246.57
Topological Polar Surface Area
65.13
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
logP
0.91
Molar Refractivity
63.52
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Updated at
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