Structure Database (LMSD)

Systematic Name
11-hydroxy-11-methyldodecanamide
Synonyms
LM ID
LMFA08010031
Formula
C13H27NO2
Exact Mass
Calculate m/z
229.204179
Sum Composition
NA 13:0;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
Primary amides [FA0801]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Aspergillus fumigatus (#746128)
Eurotiomycetes (#147545)
Metabolites with Insecticidal Activity from Aspergillus fumigatus JRJ111048 Isolated from Mangrove Plant Acrostichum specioum Endemic to Hainan Island.,
Mar Drugs, 2017
Pubmed ID: 29211003

String Representations

InChiKey (Click to copy)
ZVJUMMBZQZQUAS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H27NO2/c1-13(2,16)11-9-7-5-3-4-6-8-10-12(14)15/h16H,3-11H2,1-2H3,(H2,14,15)
SMILES (Click to copy)
C(CCCCCCCCCC(O)(C)C)(=O)N

Other Databases

PubChem CID
139590552

Calculated Physicochemical Properties

Heavy Atoms 16
Rings
Aromatic Rings
Rotatable Bonds 10
Van der Waals Molecular Volume 259.40
Topological Polar Surface Area 63.32
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 3.04
Molar Refractivity 67.56

Admin

Created at
16th Jun 2023
Updated at
16th Jun 2023