Structure database (LMSD)

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LM IDLMFA08040034
Common Name11(12)-EpETrE-EA
Systematic NameN-((+/-)-11(12)-epoxy-5Z,8Z,14Z-eicosatrienoyl)-ethanolamine
Synonyms-
Exact Mass
363.2773 (neutral)    Calculate m/z:
FormulaC22H37NO3
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassN-acyl ethanolamines (endocannabinoids) [FA0804]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105], Epoxy fatty acids[FA0107]
PubChem CID16061183
HMDB IDHMDB0013652
InChIKeyTYRRSRADDAROSO-KROJNAHFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H37NO3/c1-2-3-4-5-9-12-15-20-21(26-20)16-13-10-7-6-8-11-14-17-22(25)
23-18-19-24/h6,8-10,12-13,20-21,24H,2-5,7,11,14-19H2,1H3,(H,23,25)/b8-6-,12-9-,1
3-10-
SMILESC(CCC/C=C\C/C=C\CC1OC1C/C=C\CCCCC)(=O)NCCO
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings1Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
403.61Topological Polar
Surface Area
61.86Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP5.59Molar
Refractivity
110.02