LBF18108HP04

Upper classes: LB LBF

IDs and Links
LipidBank	DFA8069
LipidMaps	LMFA01040053
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF18108HP04

GlcNAca/b1-3Xyla-4Galb1-3GalNAca1-4(NeuAc?1-2NeuGc4Mea1-3)GalNAcb1-4(EtnP-6)GlcNAcb1-3Manb1-4Glcb1-1Cer
Structural Information
Systematic Name	Methyl-11- (3,5-Epidioxy-2-Ethylcyclopentyl) -9-Hydroperoxy-10-Undecenoate
Common Name
Symbol
Formula	C19H32O6
Exact Mass	356.219888756
Average Mass	356.45378
SMILES	C(C2CC)(O1)CC(C2C=CC(OO)CCCCCCCC(=O)OC)O1
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	EI-MS(after reduction and TMS)<<8087>>: m/e=543[M-CH3]; 468[M-HOTMS]; 401[M-(CH2)7COOCH3]; 378[M-2xHOTMS]; 352[468-SMTO=CHCH2]; 323[352-CH2CH3]; 285[CH=CHCH(OTMS)(CH2)7COOCH3]; 259[SMTO=CH(CH2)7COOCH3]; 217[SMTO-CH=CH-CH=OTMS]
UV Spectra
IR Spectra	OOH group: 3620-3010cm-1[bonded], 3520cm-1[free]; isolated trans unsaturation: 960cm-1<<8084>>
NMR Spectra	1H-NMR<<8086/8087>>: C9: 4.26-4.35; C10: 5.47-5.52; C11: 5.44-6.03; C12: 2.66-2.92; C13: 4.42-4.53; C15: 4.53-4.66; C16: 1.90-2.16; OOH: 7.89-7.94; 13C-NMR<<8086/8087>>: C9: 86.3-86.6; C10: 129.8-132.4; C11: 132.4-135.0; C12: 45.9-50.8; C13: 79.8-80.5C14: 39.3-44.1; C15: 81.7-83.0;
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF18108HP04 See above. Frankel_EN 1987 n.a. LBF18108HP04 See above. Frankel_EN 1984 n.a. LBF18108HP04 See above. Fujimoto_K et al. 1984 n.a. LBF18108HP04 See above. Neff_WE et al. 1982 n.a. LBF18108HP04 See above. Oconnor_DE et al. 1981 n.a. LBF18108HP04 See above. Oconnor_DE et al. 1984