Structure database (LMSD)

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LM IDLMFA01140034
Common NameHormelic acid
Systematic Name15-(cyclopent-2-en-1-yl)pentadecanoic acid
Synonyms-
Exact Mass
308.2715 (neutral)    Calculate m/z:
FormulaC20H36O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID329669
PlantFA ID10221
InChIKeyLKHZDPAUGRFBHR-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H36O2/c21-20(22)18-12-10-8-6-4-2-1-3-5-7-9-11-15-19-16-13-14-17-19/h
13,16,19H,1-12,14-15,17-18H2,(H,21,22)
SMILESC(O)(=O)CCCCCCCCCCCCCCC1CCC=C1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings1Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
354.50Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.50Molar
Refractivity
94.14