LBF17307HO02: Difference between revisions

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|LipidMaps=-
|LipidMaps=-
|SysName= (S) , (Z,E,E) -12-Hydroxy-5,8,10-heptadecatrienoic acid
|SysName= (S) , (Z,E,E) -12-Hydroxy-5,8,10-heptadecatrienoic acid
|Reflactive=METHYL ESTER ; [<FONT FACE=""Symbol"">a</FONT>]X<sub>D</sub><sup>25</sup> =+7.5°(C=0.2, CHLOROFORM) <<1088>>
|Reflactive=METHYL ESTER ; [<FONT FACE=""Symbol"">a</FONT>]X<sub>D</sub><sup>25</sup> =+7.5°(C=0.2, CHLOROFORM) [[Reference:Nicolaou_KC:Stylianides_NA:Ramphal_JY:,J. Chem. Soc. Perkin Trans. I,1989,,2131|{{RelationTable/GetFirstAuthor|Reference:Nicolaou_KC:Stylianides_NA:Ramphal_JY:,J. Chem. Soc. Perkin Trans. I,1989,,2131}}]]
|Solubility=DIETHYL ETHER <<1081>>
|Solubility=DIETHYL ETHER [[Reference:Hamberg_M:Samuelsson_B:,Proc. Natl. Acad. Sci. U. S. A.,1974,71,3400|{{RelationTable/GetFirstAuthor|Reference:Hamberg_M:Samuelsson_B:,Proc. Natl. Acad. Sci. U. S. A.,1974,71,3400}}]]
|Mass Spectra=METHYL ESTER TMS ETHER ; m/e 366(M<SUP><FONT SIZE=-1>+</FONT></SUP>), 335, 295, 276, 225, 173, (128)<<1017>> METHYL ESTER ; 298(M<SUP><FONT SIZE=-1>+</FONT></SUP>), 224 <<1088>>
|Mass Spectra=METHYL ESTER TMS ETHER ; m/e 366(M<SUP><FONT SIZE=-1>+</FONT></SUP>), 335, 295, 276, 225, 173, (128)[[Reference:Hamberg_M:Svensson_J:Wakabayashi_T:Samuelsson_B:,Proc. Nat. Acad. Sci. USA,1974,71,345|{{RelationTable/GetFirstAuthor|Reference:Hamberg_M:Svensson_J:Wakabayashi_T:Samuelsson_B:,Proc. Nat. Acad. Sci. USA,1974,71,345}}]] METHYL ESTER ; 298(M<SUP><FONT SIZE=-1>+</FONT></SUP>), 224 [[Reference:Nicolaou_KC:Stylianides_NA:Ramphal_JY:,J. Chem. Soc. Perkin Trans. I,1989,,2131|{{RelationTable/GetFirstAuthor|Reference:Nicolaou_KC:Stylianides_NA:Ramphal_JY:,J. Chem. Soc. Perkin Trans. I,1989,,2131}}]]
|UV Spectra=METHYL ESTER ; ETHANOL : 232nm(<FONT FACE=""Symbol"">e</FONT> 33,400)<<1081>>. METHANOL : 240nm <<1088>>
|UV Spectra=METHYL ESTER ; ETHANOL : 232nm(<FONT FACE=""Symbol"">e</FONT> 33,400)[[Reference:Hamberg_M:Samuelsson_B:,Proc. Natl. Acad. Sci. U. S. A.,1974,71,3400|{{RelationTable/GetFirstAuthor|Reference:Hamberg_M:Samuelsson_B:,Proc. Natl. Acad. Sci. U. S. A.,1974,71,3400}}]]. METHANOL : 240nm [[Reference:Nicolaou_KC:Stylianides_NA:Ramphal_JY:,J. Chem. Soc. Perkin Trans. I,1989,,2131|{{RelationTable/GetFirstAuthor|Reference:Nicolaou_KC:Stylianides_NA:Ramphal_JY:,J. Chem. Soc. Perkin Trans. I,1989,,2131}}]]
|NMR Spectra=METHYL ESTER ; <SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR(CDCl<SUB><FONT SIZE=-1>3</FONT></SUB>) : <FONT FACE=""Symbol"">d</FONT> 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, COOCH<SUB><FONT SIZE=-1>3</FONT></SUB>), 2.81(m, 2H, 7-CH), 2.36(t, J=7.51Hz, 2H, 2-CH), 2.1-0.85(m, 16H, CH<SUB><FONT SIZE=-1>2</FONT></SUB> and CH<SUB><FONT SIZE=-1>3</FONT></SUB>) <<1088>>
|NMR Spectra=METHYL ESTER ; <SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR(CDCl<SUB><FONT SIZE=-1>3</FONT></SUB>) : <FONT FACE=""Symbol"">d</FONT> 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, COOCH<SUB><FONT SIZE=-1>3</FONT></SUB>), 2.81(m, 2H, 7-CH), 2.36(t, J=7.51Hz, 2H, 2-CH), 2.1-0.85(m, 16H, CH<SUB><FONT SIZE=-1>2</FONT></SUB> and CH<SUB><FONT SIZE=-1>3</FONT></SUB>) [[Reference:Nicolaou_KC:Stylianides_NA:Ramphal_JY:,J. Chem. Soc. Perkin Trans. I,1989,,2131|{{RelationTable/GetFirstAuthor|Reference:Nicolaou_KC:Stylianides_NA:Ramphal_JY:,J. Chem. Soc. Perkin Trans. I,1989,,2131}}]]
}}
}}

Revision as of 00:00, 12 December 2008


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
LBF17307HO02.png
Structural Information
(S) , (Z,E,E) -12-Hydroxy-5,8,10-heptadecatrienoic acid
Formula C17H28O3
Exact Mass 280.203844762
Average Mass 280.40242
SMILES CCCCC[C@H](O)C=CC=CCC=CCCCC(O)=O
Physicochemical Information
DIETHYL ETHER HambergMet al.
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
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