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 HambergMet al.
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) HambergMet al. METHYL ESTER ; 298(M+), 224 Nicolaou_KC et al.
UV Spectra	METHYL ESTER ; ETHANOL : 232nm(e 33,400) HambergMet al.. METHANOL : 240nm Nicolaou_KC et al.
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) Nicolaou_KC et al.
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