Structure database (LMSD)

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LM IDLMFA08040043
Common NamePalmitoleoyl-EA
Systematic NameN-(9Z-hexadecenoyl)-ethanolamine
SynonymsPalmitoleoyl-ethanolamine
Exact Mass
297.2668 (neutral)    Calculate m/z:
FormulaC18H35NO2
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassN-acyl ethanolamines (endocannabinoids) [FA0804]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
PubChem CID9835868
HMDB IDHMDB0013648
SWISSLIPIDS IDSLM:000000410
CAYMAN ID10965
InChIKeyWFRLANWAASSSFV-FPLPWBNLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h7-8,2
0H,2-6,9-17H2,1H3,(H,19,21)/b8-7-
SMILESC(CCCCCCC(=O)NCCO)/C=C\CCCCCC
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
343.26Topological Polar
Surface Area
49.33Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP4.92Molar
Refractivity
91.29