LBF20306HO07: Difference between revisions
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|LipidMaps=- | |LipidMaps=- | ||
|SysName= (R) , (Z,Z,Z) -12-Hydroxy-5,8,14-eicosatetraenoic acid | |SysName= (R) , (Z,Z,Z) -12-Hydroxy-5,8,14-eicosatetraenoic acid | ||
|Reflactive=METHYL ESTER ; [<FONT FACE=""Symbol"">a</FONT>]X<sub>D</sub><sup>23</sup>=-3.0°(C=0.8, ACETONE) | |Reflactive=METHYL ESTER ; [<FONT FACE=""Symbol"">a</FONT>]X<sub>D</sub><sup>23</sup>=-3.0°(C=0.8, ACETONE) [[Reference:Shin_DS:Yadagiri_P:Falck_JR:Masferrer_JL:Schwartzman_ML:,Tetrah. Lett.,1989,30,3923|{{RelationTable/GetFirstAuthor|Reference:Shin_DS:Yadagiri_P:Falck_JR:Masferrer_JL:Schwartzman_ML:,Tetrah. Lett.,1989,30,3923}}]] | ||
|Solubility=ETHYL ACETATE | |Solubility=ETHYL ACETATE [[Reference:Murphy_RC:Falck_JR:Lumin_S:Yadagiri_P:Zirrolli_JA:Balazy_M:Masferrer_JL:Abraham_NG:Schwartzman_ML:,J. Biol. Chem.,1988,263,17197|{{RelationTable/GetFirstAuthor|Reference:Murphy_RC:Falck_JR:Lumin_S:Yadagiri_P:Zirrolli_JA:Balazy_M:Masferrer_JL:Abraham_NG:Schwartzman_ML:,J. Biol. Chem.,1988,263,17197}}]] | ||
|Mass Spectra=METHYL ESTER TMS ETHER ; m/e 393, 319, 297 | |Mass Spectra=METHYL ESTER TMS ETHER ; m/e 393, 319, 297 [[Reference:Murphy_RC:Falck_JR:Lumin_S:Yadagiri_P:Zirrolli_JA:Balazy_M:Masferrer_JL:Abraham_NG:Schwartzman_ML:,J. Biol. Chem.,1988,263,17197|{{RelationTable/GetFirstAuthor|Reference:Murphy_RC:Falck_JR:Lumin_S:Yadagiri_P:Zirrolli_JA:Balazy_M:Masferrer_JL:Abraham_NG:Schwartzman_ML:,J. Biol. Chem.,1988,263,17197}}]] | ||
|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> 5.63-5.51(m, 1H), 5.47-5.28(m, 5H), 3.67(S, 3H), 3.67-3.57(m, 1H), 2.79(t, J=5.5Hz, 2H), 2.32(t, J=7.4Hz, 3H), 2.30-1.99(m, 6H), 1.76-1.39(m, 6H), 1.40-1.23(m, 6H), 0.88(t, J=6.8Hz, 3H) | |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> 5.63-5.51(m, 1H), 5.47-5.28(m, 5H), 3.67(S, 3H), 3.67-3.57(m, 1H), 2.79(t, J=5.5Hz, 2H), 2.32(t, J=7.4Hz, 3H), 2.30-1.99(m, 6H), 1.76-1.39(m, 6H), 1.40-1.23(m, 6H), 0.88(t, J=6.8Hz, 3H) [[Reference:Shin_DS:Yadagiri_P:Falck_JR:Masferrer_JL:Schwartzman_ML:,Tetrah. Lett.,1989,30,3923|{{RelationTable/GetFirstAuthor|Reference:Shin_DS:Yadagiri_P:Falck_JR:Masferrer_JL:Schwartzman_ML:,Tetrah. Lett.,1989,30,3923}}]] | ||
}} | }} | ||
Revision as of 00:00, 12 December 2008
| IDs and Links | |
|---|---|
| LipidBank | XPR6122 |
| LipidMaps | - |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | {{{KNApSAcK}}} |
| mol | LBF20306HO07 |
| GlcNAca/b1-3Xyla-4Galb1-3GalNAca1-4(NeuAc?1-2NeuGc4Mea1-3)GalNAcb1-4(EtnP-6)GlcNAcb1-3Manb1-4Glcb1-1Cer | |
|---|---|
| |
| Structural Information | |
| (R) , (Z,Z,Z) -12-Hydroxy-5,8,14-eicosatetraenoic acid | |
| Formula | C20H34O3 |
| Exact Mass | 322.25079495399996 |
| Average Mass | 322.48216 |
| SMILES | C(CC=CC[C@H](CCC=CCC=CCCCC(O)=O)O)CCC |
| Physicochemical Information | |
| ETHYL ACETATE Murphy_RC et al. | |
| Spectral Information | |
| Mass Spectra | METHYL ESTER TMS ETHER ; m/e 393, 319, 297 Murphy_RC et al. |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | METHYL ESTER ; 1H-NMR(CDCL3) : d 5.63-5.51(m, 1H), 5.47-5.28(m, 5H), 3.67(S, 3H), 3.67-3.57(m, 1H), 2.79(t, J=5.5Hz, 2H), 2.32(t, J=7.4Hz, 3H), 2.30-1.99(m, 6H), 1.76-1.39(m, 6H), 1.40-1.23(m, 6H), 0.88(t, J=6.8Hz, 3H) Shin_DS et al. |
| Other Spectra | |
| Chromatograms | |
| Reported Metabolites, References | |||||||||||||||
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