Structure database (LMSD)

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LM IDLMFA01070051
Common Namemethyl 8R,9R-epoxy-13Z,15Z-eicosadien-4,6-diynoate
Systematic Namemethyl 8R,9R-epoxy-13Z,15Z-eicosadien-4,6-diynoate
Synonyms-
Exact Mass
300.1725 (neutral)    Calculate m/z:
FormulaC19H24O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassEpoxy fatty acids [FA0107]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID-
InChIKeyMDODIGWAXXDWHR-BOVLPNEZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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/h
4-7,17-18H,3,8,11,13-14,16H2,1-2H3/b5-4-,7-6-/t17-,18-/m1/s1
SMILESC(#CC#C[C@@H]1[C@@H](CCC/C=C\C=C/CC)O1)CCC(OC)=O
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 Atoms22Rings1Aromatic Rings0Rotatable Bonds9
 van der Waals
Molecular Volume
332.79Topological Polar
Surface Area
38.83Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
3
 logP3.98Molar
Refractivity
88.91