Structure Database (LMSD)
Common Name
methyl 10-hydroxy-8,9-epoxy-2Z-decen-4,6-diynoate
Systematic Name
methyl 10-hydroxy-8,9-epoxy-2Z-decen-4,6-diynoate
Synonyms
LM ID
LMFA01070034
Status
Active
Exact Mass
Calculate m/z
206.05791
Formula
Abbrev
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
DHUOSWGSFRCYSJ-ALCCZGGFSA-N
InChi (Click to copy)
InChI=1S/C11H10O4/c1-14-11(13)7-5-3-2-4-6-9-10(8-12)15-9/h5,7,9-10,12H,8H2,1H3/b7-5-
SMILES (Click to copy)
C(=C/C#CC#CC1OC1CO)/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
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
1
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
205.82
Topological Polar Surface Area
59.06
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
0.34
Molar Refractivity
53.97
Admin
Created at
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Updated at
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