Structure Database (LMSD)

NH 2 O
Common Name
Elaidamide
Systematic Name
9E-hexadecenamide
Synonyms
LM ID
LMFA08010011
Formula
C18H35NO
Exact Mass
Calculate m/z
281.271864
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
Primary amides [FA0801]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Amino fatty acids [FA0110]

String Representations

InChiKey (Click to copy)
FATBGEAMYMYZAF-MDZDMXLPSA-N
InChi (Click to copy)
InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9+
SMILES (Click to copy)
C(/CCCCCCCC)=C\CCCCCCCC(=O)N

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Mus musculus (#10090)
Mammalia (#40674)
Primary fatty acid amide metabolism: conversion of fatty acids and an ethanolamine in N18TG2 and SCP cells.,
J Lipid Res, 2012
Pubmed ID: 22095832

Other Databases

CHEBI ID
165592
PubChem CID
5353370
Cayman ID
21079

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 334.47
Topological Polar Surface Area 43.09
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 5.51
Molar Refractivity 88.65

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Created at
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Updated at
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