Structure database (LMSD)

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LM IDLMFA01070037
Common Name9,10-epoxy-11,13-docosadiynoic acid
Systematic Name9,10-epoxy-docosa-11,13-diynoic acid
Synonyms-
Exact Mass
346.2508 (neutral)    Calculate m/z:
FormulaC22H34O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassEpoxy fatty acids [FA0107]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID137323803
InChIKeyRRAFKGMABGTGAF-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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)
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SMILES
C(C1OC1C#CC#CCCCCCCCC)CCCCCCC(O)=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 Atoms25Rings1Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
389.97Topological Polar
Surface Area
49.83Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP5.90Molar
Refractivity
103.18