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


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)
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

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ericameria nauseosa (#71039)
Magnoliopsida (#3398)
Epoxy acetylenic lipids: their analogues and derivatives.,
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

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Created at
-
Updated at
13th Apr 2021