Structure Database (LMSD)

Common Name
Oxidized macamide
Systematic Name
N-(9-oxo-10Z,12Z-octadecadienoyl)-benzylamine
Synonyms
LM ID
LMFA08020209
Formula
C25H37NO2
Exact Mass
Calculate m/z
383.282429
Sum Composition
NA 25:7;O
Status
Curated
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]
Unsaturated fatty acids [FA0103]
Oxo fatty acids [FA0106]
Carbocyclic fatty acids [FA0114]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lepidium meyenii (#153348)
Magnoliopsida (#3398)
Bioactive maca (Lepidium meyenii) alkamides are a result of traditional Andean postharvest drying practices.,
Phytochemistry, 2015
Pubmed ID: 25817836

String Representations

InChiKey (Click to copy)
CDRHAUJGAKTFJC-RNJOBTIQSA-N
InChi (Click to copy)
InChI=1S/C25H37NO2/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/h6,8,11-14,17-19H,2-5,7,9-10,15-16,20-22H2,1H3,(H,26,28)/b8-6-,19-14-
SMILES (Click to copy)
N(CC1=CC=CC=C1)C(=O)CCCCCCCC(/C=C\C=C/CCCCC)=O

Other Databases

PubChem CID
134812247

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 1
Aromatic Rings 1
Rotatable Bonds 16
Van der Waals Molecular Volume 427.90
Topological Polar Surface Area 46.17
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 6.30
Molar Refractivity 118.04

Admin

Created at
-
Updated at
-