Structure database (LMSD)

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LM IDLMFA01070038
Common Namemethyl 9,10-Epoxy-11,13-docosadiynoate
Systematic Namemethyl 9,10-Epoxy-docosa-11,13-diynoate
Synonyms-
Exact Mass
360.2664 (neutral)    Calculate m/z:
FormulaC23H36O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassEpoxy fatty acids [FA0107]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID137323804
InChIKeyNFNUHDOFCNVCAD-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C23H36O3/c1-3-4-5-6-7-8-9-10-12-15-18-21-22(26-21)19-16-13-11-14-17-20-23(24)25-2/h21-22H,3-9,11,13-14,16-17,19-20H2,1-2H3
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SMILES
C(C1OC1C#CC#CCCCCCCCC)CCCCCCC(OC)=O
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StatusActive
ReferencesEpoxy 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
Calculated physicochemical properties (?):
 Heavy Atoms26Rings1Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
407.27Topological Polar
Surface Area
38.83Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
3
 logP5.99Molar
Refractivity
107.57