Structure Database (LMSD)

Common Name
13,14-epoxy-7Z,10Z-Hexadecenoic acid
Systematic Name
13,14-epoxy-7Z,10Z-Hexadecenoic acid
Synonyms
  • 7Z,10Z-12-(3-ethyloxiranyl)-7,10-Dodecadienoic acid
  • 13,14-Epoxy-7c,10c-hexadecadienoic acid
  • 13(14)-epoxy-7Z,10Z-Hexadecenoic acid
LM ID
LMFA01070023
Formula
C16H26O3
Exact Mass
Calculate m/z
266.188195
Sum Composition
FA 16:3;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Epoxy fatty acids [FA0107]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
DEYUZONFWPPQHC-YHOGECKDSA-N
InChi (Click to copy)
InChI=1S/C16H26O3/c1-2-14-15(19-14)12-10-8-6-4-3-5-7-9-11-13-16(17)18/h3-4,8,10,14-15H,2,5-7,9,11-13H2,1H3,(H,17,18)/b4-3-,10-8-
SMILES (Click to copy)
C(O)(=O)CCCCC/C=C\C/C=C\CC1C(CC)O1

Other Databases

PubChem CID
131839785
PlantFA ID
10548

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 1
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 291.45
Topological Polar Surface Area 49.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 4.66
Molar Refractivity 78.21

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Created at
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Updated at
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