LBF22408AM01

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Fatty acid (脂肪酸)

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Upper classes: LB LBF

IDs and Links
LipidBank	XPR7056
LipidMaps	LMFA08040018
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF22408AM01

N-16,16-Dimethyl- (5Z,8Z,11Z,14Z) -docosatetraenoylethanolamine
Structural Information
Systematic Name	N-16,16-Dimethyl- (cis-5,cis-8,cis-11,cis-14) -docosatetraenoylethanolamine
Common Name	N-16,16-Dimethyl- (5Z,8Z,11Z,14Z) -docosatetraenoylethanolamine 16,16-Dimethyldocosa- (5Z,8Z,11Z,14Z) -tetraenoylethanolamine
Symbol
Formula	C26H45NO2
Exact Mass	403.345029689
Average Mass	403.64104
SMILES	C(CC=CCC=CCC=CCC=CC(C)(C)CCCCCC)CC(NCCO)=O
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility
Source
Chemical Synthesis	This compound was synthesized from 16,16-dimethyldocosa-cis-5,8,11,14-tetraenoic methyl ester, NaCN and ethanolamine by heating (50°C in methanol)in a sealed tube. Yield 82 %. Seltzman_HH et al.
Metabolism
Biological Activity
Genetic Information
Note
Spectral Information
Mass Spectra
UV Spectra
IR Spectra
NMR Spectra	1H NMR (CDCl3) δ 5.79 (br s, lH, NH), 5.38 (m, 6H, 5,6,8,9,11,12-vinyl-H), 5.21 (m, 2H, 14,15-vinyl-H), 3.44, 3.43 (s&d overlapped, 4H, OCH2-CH2-N), 3.36 (s, 3H, OCH3), 2.92 (t, 2H, J=6.0Hz, 13-CH2), 2.80 (m, 4H, 7,10-CH2), 2.18 (t, 2H, J=7.7Hz, 2-CH2), 2.12 (m, 2H, 4-CH2), 1.71(p, 2H, J=7.7Hz, 3-CH2), 1.25 (m, 10H, 17-21CH2), 1.08 (s, 6H, gem-Me2), 0.86 (m, 3H, 22-CH2) Seltzman_HH et al.
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF22408AM01 See above. Seltzman_HH et al. 1997