LBF22408AM05

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Fatty acid (脂肪酸)

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Sphingolipid (スフィンゴ脂質)

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Upper classes: LB LBF

IDs and Links
LipidBank	XPR7060
LipidMaps	LMFA08020046
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF22408AM05

N-Propyl-16,16-dimethyl- (5Z,8Z,11Z,14Z) -docosatetraenoylamine
Structural Information
Systematic Name	N-Propyl-16,16-dimethyl- (cis-5,cis-8,cis-11,cis-14) -docosatetraenoylamine
Common Name	N-Propyl-16,16-dimethyl- (5Z,8Z,11Z,14Z) -docosatetraenoylamine 16,16-Dimethyldocosa- (5Z,8Z,11Z,14Z) -tetraenoylpropylamine
Symbol
Formula	C27H47NO
Exact Mass	401.365765131
Average Mass	401.66821999999996
SMILES	C(=O)(NCCC)CCCC=CCC=CCC=CCC=CC(C)(C)CCCCCC
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility
Source
Chemical Synthesis	Heating a methanolic solution of the corresponding ester, NaCN and n-propylamine for 2days in a hot block at 50°C.Yield 44%. Seltzman_HH et al.
Metabolism
Biological Activity	Seltzman_HH et al.
Genetic Information
Note
Spectral Information
Mass Spectra
UV Spectra
IR Spectra
NMR Spectra	1H NMR (CDCl3) δ 5.36 (overlap m, 7H, NH, 5,6,8,9,11,12-vinyl-H), 5.21 (m, 2H, 14,15-vinyl-H), 3.21 (q, 2H, J=6.7Hz, N-CH2), 2.92 (t, 2H, J=5.9Hz, 13-CH2), 2.80 (m, 4H, 7,10-CH2), 2.16,2.12 (t, m, 4H, J=7.6Hz, 2&4-CH2), 1.71 (p, 2H, J=7.4Hz, 3-CH2), 1.52 (hx, 2H, J=7.3Hz, 2'-CH2), 1.25 (m, 10H, 17-21-CH2), 1.08 (s, 6H, gem-Me2), 0.91,0.87 (t,m, 6H, 3'-CH3, 22-CH3) Seltzman_HH et al.
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF22408AM05 See above. Seltzman_HH et al. 1997