LBF18107HO04

Upper classes: LB LBF

IDs and Links
LipidBank	DFA8031
LipidMaps	LMFA01050133
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF18107HO04

GlcNAca/b1-3Xyla-4Galb1-3GalNAca1-4(NeuAc?1-2NeuGc4Mea1-3)GalNAcb1-4(EtnP-6)GlcNAcb1-3Manb1-4Glcb1-1Cer
Structural Information
Systematic Name	9,10,13-Trihydroxy-11-Octadecenoic Acid/9,10,13-Trihydroxy-11-Octadecenoate
Common Name
Symbol
Formula	C18H34O5
Exact Mass	330.240624198
Average Mass	330.45956
SMILES	CCCCCC(O)C=CC(O)C(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)<<8059/8017/8056/8069/8009/8066/8012>>: m/e=545[M-CH3], 529[M-OCH3], 259[SMTO=CH-(CH2)7COOCH3], 173[SMTO=CH-(CH2)4CH3], 387[M-173], 298[387-HOTMS]GC-EI-MS(after methanolysis, trimethylsilylation and isopropyliden derivative treatment)<<8056>>, GC-EIMS(after methanolysis, hydrogenation and trimethylsilylation)<<8009/8092>>: m/e=562[M], 547[M-CH3]
UV Spectra
IR Spectra	Methyl ester: olefinic trans unsaturation(990-965cm-1), free OH(3620-3595 cm-1), bonded OH(3640-3160cm-1) <<8059/8017/8056/8069/8009/8071/8066>>
NMR Spectra	1H-NMR(methyl ester)<<8017/8009>>: olefinic protons(5.76ppm), C10, 13(3.7-4.2ppm) C9(3.2-3.6ppm), OH(3.6ppm)
Other Spectra
Chromatograms

Reported Metabolites, References

Biospecies ID Compound Name Reference Comment n.a. LBF18107HO04 See above. Frankel_EN et al. 1977 n.a. LBF18107HO04 See above. Fujimoto_K 1986 n.a. LBF18107HO04 See above. Galliard_T et al. 1975 n.a. LBF18107HO04 See above. Gardner_HW et al. 1984 n.a. LBF18107HO04 See above. Graveland_A_ 1970 n.a. LBF18107HO04 See above. Neff_WE et al. 1978 n.a. LBF18107HO04 See above. Schieberle_P et al. 1979 n.a. LBF18107HO04 See above. Sessa_DJ et al. 1977 n.a. LBF18107HO04 See above. Streckert_G et al. 1975 n.a. LBF18107HO04 See above. Terao_J et al. 1975