LBF17307HO02

Upper classes: LB LBF

IDs and Links
LipidBank	XPR6201
LipidMaps	-
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF17307HO02

GlcNAca/b1-3Xyla-4Galb1-3GalNAca1-4(NeuAc?1-2NeuGc4Mea1-3)GalNAcb1-4(EtnP-6)GlcNAcb1-3Manb1-4Glcb1-1Cer
Structural Information
Systematic Name	(S) , (Z,E,E) -12-Hydroxy-5,8,10-heptadecatrienoic acid
Common Name
Symbol
Formula	C17H28O3
Exact Mass	280.203844762
Average Mass	280.40242
SMILES	CCCCC[C@H](O)C=CC=CCC=CCCCC(O)=O
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility	DIETHYL ETHER <<1081>>
Source
Chemical Synthesis
Metabolism
Biological Activity
Genetic Information
Note
Spectral Information
Mass Spectra	METHYL ESTER TMS ETHER ; m/e 366(M+), 335, 295, 276, 225, 173, (128)<<1017>> METHYL ESTER ; 298(M+), 224 <<1088>>
UV Spectra	METHYL ESTER ; ETHANOL : 232nm(e 33,400)<<1081>>. METHANOL : 240nm <<1088>>
IR Spectra
NMR Spectra	METHYL ESTER ; 1H-NMR(CDCl3) : d 6.17(dd, J=15.11, 10.36Hz, 1H, 10-CH), 6.04(dd, J=15,05, 10.52Hz, 1H, 9-CH), 5.66(dt, J=15.16, 6.48Hz, 1H), 5.60(dd, J=17.17, 7.04Hz, 1H, 11-CH), 5.42(m, 2H, 5-CH, 6-CH), 4.1(m, 1H, 12-CH), 3.66(s, 3H, COOCH3), 2.81(m, 2H, 7-CH), 2.36(t, J=7.51Hz, 2H, 2-CH), 2.1-0.85(m, 16H, CH2 and CH3) <<1088>>
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF17307HO02 See above. Goetzl_EJ et al. 1978 n.a. LBF17307HO02 See above. Hamberg_M et al. 1974 n.a. LBF17307HO02 See above. Hamberg_M et al. 1974 n.a. LBF17307HO02 See above. Hamberg_M et al. 1974 n.a. LBF17307HO02 See above. Nicolaou_KC et al. 1989 n.a. LBF17307HO02 See above. Nugteren_DH et al. 1973