Structure database (LMSD)

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LM IDLMFA01070030
Common Name5,6-Epoxyoctadeca-7,9-diynoic acid
Systematic Name5,6-Epoxyoctadeca-7,9-diynoic acid
Synonyms-
Exact Mass
290.1882 (neutral)    Calculate m/z:
FormulaC18H26O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassEpoxy fatty acids [FA0107]
Alternative ClassesUnsaturated fatty acids[FA0103], Octadecanoids[FA02]
PubChem CID14309407
PlantFA ID10497
InChIKeyXLDNBXDVNANPCY-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-9-10-11-13-16-17(21-16)14-12-15-18(19)20/h16-17H,2-8,12,14-15H2,1H3,(H,19,20)
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SMILES
C(CCCC1OC1C#CC#CCCCCCCCC)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings1Aromatic Rings0Rotatable Bonds10
 van der Waals
Molecular Volume
320.77Topological Polar
Surface Area
49.83Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP4.34Molar
Refractivity
84.72