Structure Database (LMSD)

Common Name
10-oxo-11E-octadecenoic acid
Systematic Name
10-oxo-11E-octadecenoic acid
Synonyms
  • 11(E)-10-KOME
  • 11(E),15(Z)-10-oxo-ODE
LM ID
LMFA01060223
Formula
C18H32O3
Exact Mass
Calculate m/z
296.235145
Sum Composition
FA 18:2;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]
Oxo fatty acids [FA0106]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Mortierella alpina (#64518)
Mortierellomycetes (#2212732)
Polyunsaturated fatty acids production and transformation by Mortierella alpina and anaerobic bacteria,
Eur J Lipid Sci, 2012

String Representations

InChiKey (Click to copy)
SBQFPIFSENQOQP-SDNWHVSQSA-N
InChi (Click to copy)
InChI=1S/C18H32O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h11,14H,2-10,12-13,15-16H2,1H3,(H,20,21)/b14-11+
SMILES (Click to copy)
C(/CCCCCC)=C\C(=O)CCCCCCCCC(=O)O

Other Databases

PubChem CID
10308378

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 338.41
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.29
Molar Refractivity 87.48

Admin

Created at
25th Jun 2019
Updated at
18th Nov 2024