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
Formula
C11H10O4
Exact Mass
Calculate m/z
206.05791
Sum Composition
FA 11:6;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Epoxy fatty acids [FA0107]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]
Fatty esters [FA07]
Short fatty esters [FA0710]

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

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

Other Databases

PubChem CID
137323800

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
-
Updated at
13th Apr 2021