LBGTGccc:18207HO03:18206SC05:18206SC05

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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	NAG5235
LipidMaps	[1]
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBGTGccc:18207HO03:18206SC05:18206SC05

Glyceryl-1 (3) - (13'-hydroperoxy-9',11'-octadecadienoyl) -2,3 (1,2) -dilinoleate
Structural Information
Systematic Name	Glyceryl-1 (3) - (13'-hydroperoxy-9',11'-octadecadienoyl) -2,3 (1,2) -dilinoleate
Common Name	Glyceryl-1 (3) - (13'-hydroperoxy-9',11'-octadecadienoyl) -2,3 (1,2) -dilinoleate
Symbol
Formula	C59H98O8
Exact Mass	934.726170112
Average Mass	935.4046199999999
SMILES	C(COC(=O)CCCCCCCC=CCC=CCC=CCC)C(CCOC(CCCCCCCC=CC=CC(OO)CCCCC)=O)OC(=O)CCCCCCCC=CCC=CCC=CCC
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) <<5177/5178>> GC-EI-MS (After hydrogenation, transmethylation, and silylation) <<5177/5178/5179/5180>>,
UV Spectra	Conjugated diene: λ Max = 232-233 NM ε = 24554(in MeOH) ε = 21000(in Hexane)
IR Spectra	Free C-OOH: 3450-3446 CM-1 Bonded C-OOH: 3550,3200 CM-1 Olefinic H: 3007 CM-1 Conjugated C,T and T,T Diene: 987-990,950 CM-1
NMR Spectra	1H-NMR OOH(1H): 7.92 PPM CH=CH-CH=CH(4H): 5.45-6.56 PPM CH(Bonded OOH): 4.35 PPM C=C-CH2-C=C(4H): 2.76 PPM CH2-C=C(10H): 2.1-2.2 PPM 13C-NMR C=C-C=C: 127.4-136.3 PPM C-OOH: 86.4 PPM <<5177>>,
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBGTGccc:18207HO03:18206SC05:18206SC05 See above. Neff et al. 1990 n.a. LBGTGccc:18207HO03:18206SC05:18206SC05 See above. Park_DK et al. 1981 n.a. LBGTGccc:18207HO03:18206SC05:18206SC05 See above. Terao_J et al. 1981