Structure Database (LMSD)

O O OH
Common Name
10,11-Epoxy-7Z-hexadecenoic acid
Systematic Name
10,11-Epoxy-7Z-hexadecenoic acid
Synonyms
  • 10,11-Epoxy-Z-7-hexadecenoic acid
  • 7Z-9-(3-pentyloxiranyl)-7-Nonenoic acid
  • 10,11-Epoxyhexadec-7c-enoic acid
LM ID
LMFA01070026
Formula
C16H28O3
Exact Mass
Calculate m/z
268.203845
Sum Composition
FA 16:2;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

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)
OOBAENXGGRRPTQ-TWGQIWQCSA-N
InChi (Click to copy)
InChI=1S/C16H28O3/c1-2-3-8-11-14-15(19-14)12-9-6-4-5-7-10-13-16(17)18/h6,9,14-15H,2-5,7-8,10-13H2,1H3,(H,17,18)/b9-6-
SMILES (Click to copy)
C(O)(=O)CCCCC/C=C\CC1C(CCCCC)O1

References

Other Databases

CHEBI ID
187767
PubChem CID
124146604
PlantFA ID
10543

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 1
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 294.09
Topological Polar Surface Area 49.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 4.89
Molar Refractivity 78.3

Admin

Created at
-
Updated at
-