LBF22408AM02

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Fatty acid (脂肪酸)

Glycerolipid (グリセロ脂質)

Sphingolipid (スフィンゴ脂質)

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Upper classes: LB LBF

IDs and Links
LipidBank	XPR7057
LipidMaps	LMFA08020043
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF22408AM02

N- (2R-Methyl-3-hydroxy-ethyl) -16,16-dimethyl- (5Z,8Z,11Z,14Z) -docosatetraenoylamine
Structural Information
Systematic Name	N- (2R-Methyl-3-hydroxy-ethyl) -16,16-dimethyl- (cis-5,cis-8,cis-11,cis-14) -docosatetraenoyl amine
Common Name	N- (2R-Methyl-3-hydroxy-ethyl) -16,16-dimethyl- (5Z,8Z,11Z,14Z) -docosatetraenoylamine (R) - 16,16-Dimethyldocosa- (5Z,8Z,11Z,14Z) -tetraenoyl-1'-hydroxy-2'-propylamine
Symbol
Formula	C27H47NO2
Exact Mass	417.360679753
Average Mass	417.66762
SMILES	C(C=CC(C)(C)CCCCCC)C=CCC=CCC=CCCCC(=O)NC(CO)C
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility
Source
Chemical Synthesis	(R)-(16,16-Dimethyldocosa-cis-5,8,11,14-tetraenoic methyl ester (methyl alcohol solution), NaCN and (R)-(-)-2-amino-1-propanol are heated at 50°C overnight in a sealed tube. Yield 77%. 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 5.73 (br d, 1H, J=6.5Hz, NH), 5.36 (m, 6H, 5,6,8,9,11,12-vinyl-H), 5.21 (m, 2H, 14,15-vinyl-H), 4.04 (m, lH, N-CH), 3.64 (br m, 1H, OCH3), 3.52 (br m, 1H, OCH'), 3.18 (br s, 1H, OH), 2.91 (t, 2H, J=5.9Hz, 13-CH2), 2.79 (m, 4H, 7,10-CH2), 2.18 (t, 2H, J=7.6Hz,2-CH2), 2.08 (m, 2H, 4-CH2), 1.71 (p, 2H, J=7.4 Hz, 3-CH2), 1.27 (m, 10H, 17-21-CH2), 1.15 (d, 3H, J=6.8Hz, N-C-CH3), 1.08 (s, 6H, gem-Me2), 0.86 (m, 3H, 22-CH3) Seltzman_HH et al.
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF22408AM02 See above. Seltzman_HH et al. 1997