Structure Database (LMSD)

Common Name
Oxidized macamide
Systematic Name
N-benzyl-13-oxo-9E,11E,15E-octadecatrienamide
Synonyms
  • Oxidized macamide
LM ID
LMFA08020373
Formula
C25H35NO2
Exact Mass
Calculate m/z
381.266779
Sum Composition
NA 25:8;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl amines [FA0802]
Fatty Acids and Conjugates [FA01]
Oxo fatty acids [FA0106]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lepidium meyenii (#153348)
Magnoliopsida (#3398)
Comprehensive Profiling of Macamides and Fatty Acid Derivatives in Maca with Different Postharvest Drying Processes Using UPLC-QTOF-MS.,
ACS Omega, 2021
Pubmed ID: 34604630

String Representations

InChiKey (Click to copy)
IYXPYLUEWJJJNN-USPSPXRMSA-N
InChi (Click to copy)
InChI=1S/C25H35NO2/c1-2-3-12-19-24(27)20-15-9-7-5-4-6-8-10-16-21-25(28)26-22-23-17-13-11-14-18-23/h3,7,9,11-15,17-18,20H,2,4-6,8,10,16,19,21-22H2,1H3,(H,26,28)/b9-7+,12-3+,20-15+
SMILES (Click to copy)
C(CCCCCCC/C=C/C=C/C(=O)C/C=C/CC)(=O)NCC1=CC=CC=C1

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 1
Aromatic Rings 1
Rotatable Bonds 15
Van der Waals Molecular Volume 425.26
Topological Polar Surface Area 46.17
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 6.07
Molar Refractivity 117.94

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Created at
25th Oct 2021
Updated at
25th Oct 2021