LBF18206HP03

Upper classes: LB LBF

IDs and Links
LipidBank	DFA8004
LipidMaps	LMFA01040007
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF18206HP03

12-Hydroperoxy-9,13-Octadecadienoic Acid
Structural Information
Systematic Name	12-Hydroperoxy-9,13-Octadecadienoic Acid/12-Hydroperoxy-9,13-Octadecadienoate
Common Name	12-Hydroperoxy-9,13-Octadecadienoic Acid 12-Hydroperoxy-9,13-Octadecadienoate
Symbol
Formula	C18H32O4
Exact Mass	312.23005951199997
Average Mass	312.44428
SMILES	CCCCC=CC(OO)CC=CCCCCCCCC(O)=O
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 methanolysis, reduction and trimethylsilylation) TeraoJet al. Frankel_EN et al.: m/e= 185[SMTO=CH-CH=CH-(CH2)3CH3], GC-EI-MS (after methylation, reduction and hydrogenation) Chan_HWS : m/e= 229[CH(OH)(CH2)10COOCH3], 200[(CH2)10COOCH3+H], 197[C(OH)(CH2)10CO] GC-EI-MS(after methylation, reduction, hydrogenation and trimethylsilylation) TeraoJet al.
UV Spectra
IR Spectra	After methanolyzation and reduction Thomas_MJ et al. TeraoJet al.: isolated double bond (3013-3010, 972-971cm-1)
NMR Spectra	1H-NMR(after methanolyzation and reduction) Thomas_MJ et al.: olefinic protons(5.55-5.59ppm), C10 (4.08-4.11ppm)
Other Spectra
Chromatograms

Reported Metabolites, References

Biospecies ID Compound Name Reference Comment n.a. LBF18206HP03 See above. Chan_HWS 1977 n.a. LBF18206HP03 See above. Frankel_EN 1987 n.a. LBF18206HP03 See above. Frankel_EN 1980 n.a. LBF18206HP03 See above. Frankel_EN 1983 n.a. LBF18206HP03 See above. Frankel_EN 1984 n.a. LBF18206HP03 See above. Frankel_EN et al. 1979 n.a. LBF18206HP03 See above. Fujimoto_K 1986 n.a. LBF18206HP03 See above. Logani_MK et al. 1980 n.a. LBF18206HP03 See above. Sevanian_A et al. 1985 n.a. LBF18206HP03 See above. Terao_J et al. 1977 n.a. LBF18206HP03 See above. Thomas_MJ et al. 1980