LBF18207HO03

Upper classes: LB LBF

IDs and Links
LipidBank	DFA8023
LipidMaps	LMFA01050125
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF18207HO03

GlcNAca/b1-3Xyla-4Galb1-3GalNAca1-4(NeuAc?1-2NeuGc4Mea1-3)GalNAcb1-4(EtnP-6)GlcNAcb1-3Manb1-4Glcb1-1Cer
Structural Information
Systematic Name	13-Hydroxy-9,11-Octadecadienoic Acid/13-Hydroxy-9,11-Octadecadienoate
Common Name
Symbol
Formula	C18H32O3
Exact Mass	296.23514489
Average Mass	296.44488
SMILES	CCCCCC(O)C=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 and trimethylsilylation)<<8013/8059/8018/8012/8004>>: m/e=382[M], 367[M-CH3], 351[M-OCH3], 311[M-(CH2)4CH3], 225[M-(CH2)7COOCH3], GC-EI-MS(after methanolysis, hydrogenation and trimethylsilylation)<<8059/8014>>, GC-EI-MS(after methanolysis and hydrogenation) <<8064>>
UV Spectra	lEtOH/max=234nm(conjugated diene)<<8014/8071>>
IR Spectra	Methyl ester: trans, trans isomer: trans, trans conjugated dinen(985cm-1), free OH(3600cm-1), bonded OH(3695-3318cm-1); cis, trans isomer: cis, trans conjugated diene(990, 968cm-1), olefinic(3005cm-1), free OH(3600cm-1), bonded OH(3700-3160cm
NMR Spectra	1H-NMR(methyl ester): trans, trans olefinic protons(5.41ppm), cis,trans olefinic protons(5.91ppm), C13(4.15-4.20ppm), C8(2.07-2.10ppm) <<8017/8071>>
Other Spectra
Chromatograms

Reported Metabolites, References

Biospecies ID Compound Name Reference Comment n.a. LBF18207HO03 See above. Christophersen_BO 1968 n.a. LBF18207HO03 See above. Frankel_EN et al. 1977 n.a. LBF18207HO03 See above. Fujimoto_K 1986 n.a. LBF18207HO03 See above. Gardner_HW et al. 1974 n.a. LBF18207HO03 See above. Hamberg_M 1975 n.a. LBF18207HO03 See above. Kleiman_R et al. 1973 n.a. LBF18207HO03 See above. Lundberg_WO et al. 1949 n.a. LBF18207HO03 See above. Neff_WE et al. 1978 n.a. LBF18207HO03 See above. Sessa_DJ et al. 1977 n.a. LBF18207HO03 See above. Streckert_G et al. 1975 n.a. LBF18207HO03 See above. Yamamoto_Y et al. 1984 n.a. LBF18207HO03 See above. Yamamoto_Y et al. 1984