Structure database (LMSD)

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LM IDLMFA02000306
Common Name9,10-epoxy-3E,12Z-Octadecadienoic acid
Systematic Name9,10-epoxy-3E,12Z-Octadecadienoic acid
Synonyms3,12-Octadecadienoic acid, 9,10-epoxy-, (3E,12Z)-; cis-9,10-Epoxy-trans-3,cis-
12-octadecadienoic acid
Exact Mass
294.2195 (neutral)    Calculate m/z:
FormulaC18H30O3
CategoryFatty Acyls [FA]
Main ClassOctadecanoids [FA02]
Sub ClassOther Octadecanoids [FA0200]
Alternative ClassesUnsaturated fatty acids[FA0103], Epoxy fatty acids[FA0107]
AbbrevFA 18:3;O
PubChem CID131839808
PlantFA ID10445
InChIKeyILGCWXMOGYJMJD-PWZCAXEFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,9-10,12,16-17H,2-6,8,11,13-15H2,1H3,(H,19,20)/b10-7-,12-9+
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SMILES
O1C(CCCC/C=C/CC(=O)O)C1C/C=C\CCCCC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings1Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
326.05Topological Polar
Surface Area
49.83Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP5.44Molar
Refractivity
87.44