LBF18108HO04

Upper classes: LB LBF

IDs and Links
LipidBank	DFA8032
LipidMaps	LMFA01050134
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF18108HO04

9,12,13-Trihydroxy-10-Octadecenoic Acid
Structural Information
Systematic Name	9,12,13-Trihydroxy-10-Octadecenoic Acid
Common Name	9,12,13-Trihydroxy-10-Octadecenoic Acid 9,12,13-Trihydroxy-10-Octadecenoate
Symbol
Formula	C18H34O5
Exact Mass	330.240624198
Average Mass	330.45956
SMILES	CCCCCC(O)C(O)C=CC(O)CCCCCCCC(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 and trimethylsilylation) StreckertGet al. Neff_WE et al. SchieberlePet al. Gardner_HW et al. Graveland_A_ GalliardTet al. Frankel_EN et al.: m/e=545[M-CH3], 529[M-OCH3], 460[rearrangment peak], 259[SMTO=CH-(CH2)7COOCH3], 173[SMTO=CH-(CH2)4CH3], 387[M-173], 301[M-259], 298[M-HOTMS], GC-EI-MS(after methanolysis, trimethylsilylation and isopropylidene treatment), GC-EI-MS(after methanolysis, hydrogenation and trimethylsilylation)
UV Spectra
IR Spectra	Methyl ester: olefinic trans unsaturation(990-965 cm-1), free OH(3620-3595 cm-1), bonded OH(3640-3160cm-1) StreckertGet al. Neff_WE et al. SchieberlePet al. Graveland_A_ Sessa_DJ et al.
NMR Spectra	1H-NMR(methyl ester) Neff_WE et al. Gardner_HW et al. Graveland_A_ :olefinic protons(5.74-5.86ppm), C9, 12(3.7-4.2ppm), C13(3.2-3.77ppm), OH(3.6ppm)
Other Spectra
Chromatograms

Reported Metabolites, References

Biospecies ID Compound Name Reference Comment n.a. LBF18108HO04 See above. Dix_TA et al. 1983 n.a. LBF18108HO04 See above. Frankel_EN et al. 1977 n.a. LBF18108HO04 See above. Fujimoto_K 1986 n.a. LBF18108HO04 See above. Galliard_T et al. 1975 n.a. LBF18108HO04 See above. Gardner_HW et al. 1984 n.a. LBF18108HO04 See above. Graveland_A_ 1970 n.a. LBF18108HO04 See above. Neff_WE et al. 1978 n.a. LBF18108HO04 See above. Schieberle_P et al. 1979 n.a. LBF18108HO04 See above. Streckert_G et al. 1975