Structure Database (LMSD)

Common Name
(S)-(-)-N-(alpha-methylbenzyl)-linoleamide
Systematic Name
N-[(1S)-1-phenylethyl]octadeca-9Z,12Z-dienamide
Synonyms
  • N-methyl-benzyllinoleamide
LM ID
LMFA08020389
Formula
C26H41NO
Exact Mass
Calculate m/z
383.318814
Sum Composition
NA 26:6
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]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Tropaeolum tuberosum (#147035)
Magnoliopsida (#3398)
Anti-glycative and anti-inflammatory effects of macamides isolated from Tropaeolum tuberosum in skin cells.,
Nat Prod Res, 2021
Pubmed ID: 34935571

String Representations

InChiKey (Click to copy)
RWIUTHWKQHRQNP-CHCSOGFJSA-N
InChi (Click to copy)
InChI=1S/C26H41NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(28)27-24(2)25-21-18-17-19-22-25/h7-8,10-11,17-19,21-22,24H,3-6,9,12-16,20,23H2,1-2H3,(H,27,28)/b8-7-,11-10-/t24-/m0/s1
SMILES (Click to copy)
[C@H](C)(C1C=CC=CC=1)NC(CCCCCCC/C=C\C/C=C\CCCCC)=O

Other Databases

PubChem CID
49864801

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 1
Aromatic Rings 1
Rotatable Bonds 16
Van der Waals Molecular Volume 439.05
Topological Polar Surface Area 29.10
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.68
Molar Refractivity 122.36

Admin

Created at
24th Dec 2021
Updated at
26th Dec 2021