Structure Database (LMSD)

Common Name
9,10-epoxy-11,13-docosadiynoic acid
Systematic Name
9,10-epoxy-docosa-11,13-diynoic acid
Synonyms
LM ID
LMFA01070037
Status
Active
Exact Mass
Calculate m/z
346.250795
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)
RRAFKGMABGTGAF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-11-14-17-20-21(25-20)18-15-12-10-13-16-19-22(23)24/h20-21H,2-8,10,12-13,15-16,18-19H2,1H3,(H,23,24)
SMILES (Click to copy)
C(C1OC1C#CC#CCCCCCCCC)CCCCCCC(O)=O

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

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 389.97
Topological Polar Surface Area 49.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.90
Molar Refractivity 103.18

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Updated at
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