Structure Database (LMSD)

O O O
Common Name
methyl 8R,9R-epoxy-13Z,15Z-eicosadien-4,6-diynoate
Systematic Name
methyl 8R,9R-epoxy-13Z,15Z-eicosadien-4,6-diynoate
Synonyms
LM ID
LMFA01070051
Formula
C19H24O3
Exact Mass
Calculate m/z
300.172545
Sum Composition
FA 19:7;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
MDODIGWAXXDWHR-BOVLPNEZSA-N
InChi (Click to copy)
InChI=1S/C19H24O3/c1-3-4-5-6-7-8-11-14-17-18(22-17)15-12-9-10-13-16-19(20)21-2/h4-7,17-18H,3,8,11,13-14,16H2,1-2H3/b5-4-,7-6-/t17-,18-/m1/s1
SMILES (Click to copy)
C(#CC#C[C@@H]1[C@@H](CCC/C=C\C=C/CC)O1)CCC(OC)=O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lycogala epidendrum (#300236)
Eumycetozoa (#142796)
Epoxy acetylenic lipids: their analogues and derivatives.,
Prog Lipid Res, 2014
Pubmed ID: 25193612

Other Databases

CHEBI ID
186411
PubChem CID
137323815

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 1
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 332.79
Topological Polar Surface Area 38.83
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
logP 3.98
Molar Refractivity 88.91

Admin

Created at
-
Updated at
27th Apr 2021