LBGTGccc:18304HP01:18206SC05:18206SC05

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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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IDs and Links
LipidBank	NAG5239
LipidMaps	[1]
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBGTGccc:18304HP01:18206SC05:18206SC05

Glyceryl-1 (3) - (16'-hydroperoxy-9',12',14'-octadecatrienoyl) -2,3 (1,2) -dilinolenate
Structural Information
Systematic Name	Glyceryl-1 (3) - (16'-hydroperoxy-9',12',14'-octadecatrienoyl) -2,3 (1,2) -dilinolenate
Common Name	Glyceryl-1 (3) - (16'-hydroperoxy-9',12',14'-octadecatrienoyl) -2,3 (1,2) -dilinolenate
Symbol
Formula	C59H96O8
Exact Mass	932.7105200479999
Average Mass	933.38874
SMILES	O=C(CCCCCCCC=CCC=CCC=CCC)OCCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)CCOC(=O)CCCCCCCC=CCC=CC=CC(OO)CC
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility
Source
Chemical Synthesis
Metabolism
Biological Activity
Genetic Information
Note
Spectral Information
Mass Spectra	GC-EI-MS(After hydrolysis, hydrogenation, methylation, and silylation) <<5181>> GC-EI-MS(After hydrogenation, transmethtlation, and silylation) <<5178>>/<<5181>>,
UV Spectra	Conjugated diene: lMax = 232 NM e = 21400(in MeOH)
IR Spectra	Free C-OOH: 3431 CM-1 Bonded C-OOH: 3550-3200 CM-1 Olefinic H: 3007 CM-1 Conjugated C,T Unsaturation: 987,950 CM-1
NMR Spectra	1H-NMR OOH(1H): 8.40 PPM CH=CH-CH=CH(4H): 5.42-6.55 PPM CH(Bonded OOH): 4.35 PPM C=C-CH2-C=C: 2.88 PPM 13C-NMR C=C-C=C-C=C: 126.94-132.42 PPM C-OOH: 86.7 PPM <<5181>>,
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBGTGccc:18304HP01:18206SC05:18206SC05 See above. Frankel_EN et al. 1990 n.a. LBGTGccc:18304HP01:18206SC05:18206SC05 See above. Park_DK et al. 1981