Structure database (LMSD)

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LM IDLMFA01070029
Common Name17(18)-Epoxy-11Z,14Z-Eicosadienoic acid
Systematic Name17,18-Epoxy-11Z,14Z-Eicosadienoic acid
Synonyms17,18-Epoxy-Z,Z-11,14-Eicosadienoic acid; (11Z,14Z)-16-(3-Ethyl-2-oxiranyl)-11,
14-hexadecadienoic acid; 17,18-Epoxy-Eicosa-11c,14c-dienoic acid
Exact Mass
322.2508 (neutral)    Calculate m/z:
FormulaC20H34O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassEpoxy fatty acids [FA0107]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID131839787
PlantFA ID10541
InChIKeyWKQIFAMQDFHXAL-HWXFIQLYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H34O3/c1-2-18-19(23-18)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(21)22/h6,8,12,14,18-19H,2-5,7,9-11,13,15-17H2,1H3,(H,21,22)/b8-6-,14-12-
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SMILES
C(CCCCCCCCC/C=C\C/C=C\CC1OC1CC)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings1Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
360.65Topological Polar
Surface Area
49.83Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP6.22Molar
Refractivity
96.68