Structure Database (LMSD)

Common Name
Oxidized macamide
Systematic Name
N-benzyl-9-oxo-10E,12E,14E-octadecatrienamide
Synonyms
LM ID
LMFA08020375
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)
HJEGJTBTJUYHRT-OAPKCXFISA-N
InChi (Click to copy)
InChI=1S/C25H35NO2/c1-2-3-4-5-6-8-14-19-24(27)20-15-9-7-10-16-21-25(28)26-22-23-17-12-11-13-18-23/h4-6,8,11-14,17-19H,2-3,7,9-10,15-16,20-22H2,1H3,(H,26,28)/b5-4+,8-6+,19-14+
SMILES (Click to copy)
C(CCCCCCCC(=O)/C=C/C=C/C=C/CCC)(=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