Structure Database (LMSD)

Common Name
Macamide
Systematic Name
N-(9Z,12Z-octadecadienoyl) benzylamine
Synonyms
  • N-benzyllinoleamide
LM ID
LMFA08020158
Formula
C25H39NO
Exact Mass
Calculate m/z
369.303164
Sum Composition
NA 25:6
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]
Carbocyclic fatty acids [FA0114]

String Representations

InChiKey (Click to copy)
YJWLCIANOBCQGW-HZJYTTRNSA-N
InChi (Click to copy)
InChI=1S/C25H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)26-23-24-20-17-16-18-21-24/h6-7,9-10,16-18,20-21H,2-5,8,11-15,19,22-23H2,1H3,(H,26,27)/b7-6-,10-9-
SMILES (Click to copy)
C(C1C=CC=CC=1)NC(CCCCCCC/C=C\C/C=C\CCCCC)=O

Other Databases

PubChem CID
68742556
Cayman ID
33358

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 1
Aromatic Rings 1
Rotatable Bonds 16
Van der Waals Molecular Volume 421.75
Topological Polar Surface Area 29.10
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 7.12
Molar Refractivity 117.65

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Created at
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Updated at
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