Structure database (LMSD)

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LM IDLMFA01150005
Common Name10,13-Epoxy-11-methyloctadeca-10,12-dienoic acid
Systematic Name9-(3-Methyl-5-pentylfuran-2-yl)nonanoic acid
Synonyms9-(3-methyl-5-pentylfuran-2-yl)-nonanoic acid; 3-Methyl-5-pentyl-2-
furannonanoic acid; 9M5
Exact Mass
308.2351 (neutral)    Calculate m/z:
FormulaC19H32O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHeterocyclic fatty acids [FA0115]
Alternative ClassesUnsaturated fatty acids[FA0103], Branched fatty acids[FA0102]
PubChem CID3085134
HMDB IDHMDB0031091
PlantFA ID10507
InChIKeyTUQVXFOSXOCQCM-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C19H32O3/c1-3-4-9-12-17-15-16(2)18(22-17)13-10-7-5-6-8-11-14-19(20)21/h
15H,3-14H2,1-2H3,(H,20,21)
SMILESC(O)(=O)CCCCCCCCC1OC(CCCCC)=CC=1C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings1Aromatic Rings1Rotatable Bonds13
 van der Waals
Molecular Volume
332.45Topological Polar
Surface Area
50.44Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP5.68Molar
Refractivity
90.33