Structure database (LMSD)

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LM IDLMFA01070024
Common Name11,12-epoxy-14Z-Eicosenoic acid
Systematic Name11,12-epoxy-14Z-Eicosenoic acid
Synonyms(2Z)-3-(2-octenyl)-Oxiranedecanoic acid; 11,12-Epoxy-14c-eicosenoic acid
Exact Mass
324.2664 (neutral)    Calculate m/z:
FormulaC20H36O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassEpoxy fatty acids [FA0107]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID44352356
PlantFA ID10517
InChIKeyDTMJFRNHKXMKBD-XFXZXTDPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H36O3/c1-2-3-4-5-9-12-15-18-19(23-18)16-13-10-7-6-8-11-14-17-20(21)22/h9,12,18-19H,2-8,10-11,13-17H2,1H3,(H,21,22)/b12-9-
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SMILES
O1C(C/C=C\CCCCC)C1CCCCCCCCCC(O)=O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings1Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
363.29Topological Polar
Surface Area
49.83Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP6.45Molar
Refractivity
96.77