Category:LBS/Search: Difference between revisions

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{| style="float:right"
=={{Bilingual|構造から探す|Search from Structure}}==
| __TOC__
<ul>
|}
<li> [[:Category:LBS#SphingolipidClass|Search from Sphingolipid Major Series]]
 
<li> [[:Category:LBS#SphingolipidSugar|Search from Specific Sugars]]
 
<li> Search from the non-reducing end pattern (click "Show" to expand the table)
 
<table class="wikitable collapsible collapsed" style="text-align:right; background-color:white; margin-left: 1.5em">
<tr><th>Name</th><th width="300px">Structure</th></tr>
<tr><td>{{#volatile:ListMol/LBS|Blood group A|Structure=GalNAca1-3\(Fuca1-2\)Galb1-3GlcNAcb1-3}}</td><td>{{#invoke:LBS|FormatSugar|GalNAca1-3(Fuca1-2)Galb1-3GlcNAcb1-3-R}}</td></tr>
<tr><td>{{#volatile:ListMol/LBS|Blood group B|Structure=Gala1-3\(Fuca1-2\)Galb1-3GlcNAcb1-3}}</td>  <td>{{#invoke:LBS|FormatSugar|Gala1-3(Fuca1-2)Galb1-3GlcNAcb1-3-R}}</td></tr>
<tr><td>{{#volatile:ListMol/LBS|Blood group H|Structure=Fuca1-2Galb1-3GlcNAcb1-3}}</td>              <td>{{#invoke:LBS|FormatSugar|Fuca1-2Galb1-3GlcNAcb1-3-R}}</td></tr>
 
<tr><td>{{#volatile:ListMol/LBS|Lewis <sup>a</sup>|Structure=Galb1-3\(Fuca1-4\)GlcNAcb1-3}}</td>                <td>{{#invoke:LBS|FormatSugar|Galb1-3(Fuca1-4)GlcNAcb1-3-R}}</td></tr>
<tr><td>{{#volatile:ListMol/LBS|Lewis <sup>b</sup>|Structure=Fuca1-2Galb1-3\(Fuca1-4\)GlcNAcb1-3}}</td>        <td>{{#invoke:LBS|FormatSugar|Fuca1-2Galb1-3(Fuca1-4)GlcNAcb1-3-R}}</td></tr>
<tr><td>{{#volatile:ListMol/LBS|sialyl-Lewis<sup>a</sup>|Structure=NeuAca2-3Galb1-3\(Fuca1-4\)GlcNAcb1-3}}</td> <td>{{#invoke:LBS|FormatSugar|NeuAca2-3Galb1-3(Fuca1-4)GlcNAcb1-3-R}}</td></tr>
 
<tr><td>{{#volatile:ListMol/LBS|Lewis <sup>x</sup>, SSEA-1|Structure=Galb1-4\(Fuca1-3\)GlcNAcb1-3}}</td>        <td>{{#invoke:LBS|FormatSugar|Galb1-4(Fuca1-3)GlcNAcb1-3-R}}</td></tr>
<tr><td>{{#volatile:ListMol/LBS|Lewis <sup>y</sup>|Structure=Fuca1-2Galb1-4\(Fuca1-3\)GlcNAcb1-3}}</td>        <td>{{#invoke:LBS|FormatSugar|Fuca1-2Galb1-4(Fuca1-3)GlcNAcb1-3-R}}</td></tr>
<tr><td>{{#volatile:ListMol/LBS|sialyl-Lewis <sup>x</sup>|Structure=NeuAca2-3Galb1-4\(Fuca1-3\)GlcNAcb1-3}}</td><td>{{#invoke:LBS|FormatSugar|NeuAca2-3Galb1-4(Fuca1-3)GlcNAcb1-3-R}}</td></tr>
 
<tr><td>{{#volatile:ListMol/LBS|Forssman antigen|Structure=GalNAca1-3GalNAcb1-3Gala1-4Galb1-4Glcb1}}</td>      <td>{{#invoke:LBS|FormatSugar|GalNAca1-3GalNAcb1-3Gala1-4Galb1-4Glcb1-R}}</td></tr>
 
<tr><td>{{#volatile:ListMol/LBS|P antigen|Structure=GalNAcb1-3Gala1-4Galb1-4Glcb1}}</td>                        <td>{{#invoke:LBS|FormatSugar|GalNAcb1-3Gala1-4Galb1-4Glcb1-R}}</td></tr>
</table>
 
<li> Search from the sugar sequence [[Persist:ListAllChains|(List allchains)]] {{#formtag:fieldset||
<table>
<tr>
  <td>{{#formtag:select|name="nre" id="nre" |<option value="^">NR end</option><option value=".*" selected="yes">any</option>}}</td>
  <td>{{#formtag:select|name="4th" id="4th"|<option value="((Glc)|(Gal)|(Man)|(Ino))[abfp0-9]*-.">Hexose</option><option value="((GlcNAc)|(GalNAc))[abfp0-9]*-.">HexNAc</option><option value="((GlcA)|(GalA))[abfp0-9]*-.">HexA</option><option value="[^-]*Fuc[^-]*-.">Fucose</option><option value="[^-]*NeuAc[^-]*-.">NeuAc</option><option value="[^-]*NeuGc[^-]*-.">NeuGc</option><option value="[^-]*-.">Others</option><option value="" selected="yes">none</option>}}</td>
  <td>-</td>
  <td>{{#formtag:select|name="3th" id="3th"|<option value="((Glc)|(Gal)|(Man)|(Ino))[abfp0-9]*-.">Hexose</option><option value="((GlcNAc)|(GalNAc))[abfp0-9]*-.">HexNAc</option><option value="((GlcA)|(GalA))[abfp0-9]*-.">HexA</option><option value="[^-]*Fuc[^-]*-.">Fucose</option><option value="[^-]*NeuAc[^-]*-." selected="yes">NeuAc</option><option value="[^-]*NeuGc[^-]*-.">NeuGc</option><option value="[^-]*-.">Others</option><option value="">none</option>}}</td>
 
  <td>-</td>
  <td>{{#formtag:select|name="2nd" id="2nd"|<option value="((Glc)|(Gal)|(Man)|(Ino))[abfp0-9]*-." selected="yes">Hexose</option><option value="((GlcNAc)|(GalNAc))[abfp0-9]*-.">HexNAc</option><option value="((GlcA)|(GalA))[abfp0-9]*-.">HexA</option><option value="[^-]*Fuc[^-]*-.">Fucose</option><option value="[^-]*NeuAc[^-]*-.">NeuAc</option><option value="[^-]*NeuGc[^-]*-.">NeuGc</option><option value="[^-]*-.">Others</option><option value="">none</option>}}</td>
<td>-</td>
  <td>{{#formtag:select|name="1st" id="1st"|<option value="((Glc)|(Gal)|(Man)|(Ino))[abfp0-9]*-" selected="yes">Hexose</option><option value="((GlcNAc)|(GalNAc))[abfp0-9]*-">HexNAc</option><option value="((GlcA)|(GalA))[abfp0-9]*-">HexA</option><option value="[^-]*Fuc[^-]*-">Fucose</option><option value="[^-]*NeuAc[^-]*-">NeuAc</option><option value="[^-]*NeuGc[^-]*-">NeuGc</option><option value="[^-]*-">Others</option><option value="">none</option>}}</td>
  <td>-</td>
  <td>{{#formtag:select|name="re" id="re" |<option value="((Cer)|(Sph))">Cer/Sph</option><option value=".+">any</option>}}</td>
  <td>&nbsp;</td>
  <td>{{#formtag:input|name="cals" type="button" value="SEARCH" disabled="true" id="sequence_search_button"}}</td>
</tr>
</table>
}}
 
<div id="PolySeqResult" style="height: 400px; overflow: scroll; resize: vertical; display: none"></div>
 
{{#formtag:fieldset||
{{#formtag:legend||Advanced search}}
{{#formtag:input|type="text" size="60" name="1" id="advanced_polysaccharide_sequence"}}
{{#formtag:input|type="button" disabled="true" id="advanced_search_button" value="SEARCH"}}<br />
{{#formtag:input|type="checkbox" id="advanced_search_nre"}}{{#formtag:label|for="advanced_search_nre"|Non-reducing end}}
}}
 
<div id="loading">[[File:loading.gif]] loading...</div>
<div id="AdvResult" style="height: 400px; overflow: scroll; display: none"></div>
</ul>
 
<!---
==All Polysaccharide Sequences==
{{#persist:ListMainchain|List mainchains|ListMainchain|0|dummy|;}}
--->


==Search From Mass==
=={{Bilingual|質量から探す|Search From Mass}}==
<!---
{{#formtag:input|name="cals" type="button" value="SEARCH" disabled="yes" onclick="calculateF2M()"}}


{| class="wikitable" style="float:right;"
{| class="wikitable" style="float:right;"
Line 11: Line 74:
  <table>
  <table>
   <tr>
   <tr>
   <td style="border: none">Input Formula<br/></td>
   <td style="border: none">Formula<br/>&nbsp;</td>
   <td style="border: none">{{#formtag:input|name="calc_formula" id="calc_formula" type="text" placeholder="C6H12O6"}}{{#formtag:input|name="cals" type="button" value="calc" onclick="calculateF2M()"}} <br/>&nbsp;&nbsp; &rarr;
   <td style="border: none">{{#formtag:input|name="calc_formula" id="calc_formula" type="text" size="15" value="C6H12O6"}}{{#formtag:input|name="cals" type="button" value="calc" id="calculateF2M"}} <br/>&nbsp;&nbsp; &rarr;
   {{#formtag:input|name="calc_mass" id="calc_mass" type="text" size="10" }}</td>
   {{#formtag:input|name="calc_mass" id="calc_mass" type="text" size="15" }}</td>
   </tr>
   </tr>
  </table>
  </table>
}}
}}
|}


|}


{{#formtag:fieldset||
{{#formtag:fieldset||
{{#formtag:legend||Precursor Mass (polysaccharide part)}}
{{#formtag:legend||Precursor Mass (polysaccharide part only)}}
{{#formtag:input|name="prec_mass" id="prec_mass" type="text" size="10" value="500"}}
{{#formtag:legend|| &rarr; Product Masses (comma separated)}}
&nbsp;&nbsp;{{#formtag:input|name="prod_mass" id="prod_mass" type="text" size="10" value="42,72,179"}} (tolerance {{#formtag:input|name="tol_mass" id="tol_mass" type="text" size="3" value="0.1"}})


{{#formtag:input|name="prec_mass" id="prec_mass" type="text" placeholder="500.00"}}
}}


<!---
<table>
<table>
  <tr>
  <tr>
Line 35: Line 100:
<td>{{#formtag:input|type="checkbox" name="none" value="none" id="none"}}<label for="none">1200-1400</label></td>
<td>{{#formtag:input|type="checkbox" name="none" value="none" id="none"}}<label for="none">1200-1400</label></td>
</table>
</table>
GM1, 中性、硫酸基のGalCerなど例をいれておく
--->
--->
}}


 
{|
{{#formtag:input|name="cals" type="button" value="SEARCH" onclick="calculateF2M()"}}
|
 
<!-- Glycosphingolipid Mass Calculator -->
==Search from Structure==
<table class="wikitable" border=1 cellspacing=0 cellpadding=5 style="font-size: small; background-color: white; border-collapse: collapse">
 
<tr><th colspan="6" style="text-align: center; font-weight: 600">Glycosphingolipid Mass Calculator for MS Analysis</th></tr>
 
{{#formtag:fieldset||
{{#formtag:legend||Sphingolipid Major Series}}
<table>
  <tr>
  <tr>
   <td>{{#formtag:input|type="radio" name="none" value="none" id="none"}}<label for="none">Gala</label></td>
   <td colspan="5">
   <td>{{#formtag:input|type="radio" name="none" value="none" id="none"}}<label for="none">Spirometo</label></td>
  <table style="text-align: center">
   <td>{{#formtag:input|type="radio" name="none" value="none" id="none"}}<label for="none">Ganglio</label></td>
    <tr><td style="border: none"><span style="display: none">{{#formtag:select|name="cs_average" id="cs_average"|{{#formtag:option|value="false"|Exact}}{{#formtag:option|value="true"|Average}} }}</span> Exact Mass</td><td style="border: none">Nominal Mass</td><td style="border: none">Formula</td></tr>
   <td>{{#formtag:input|type="radio" name="none" value="none" id="none"}}<label for="none">Isoganglio</label></td>
    <tr><td style="border: none">{{#formtag:input|type="text" id="cs_mass" style="width: 12em"}}</td><td style="border: none">{{#formtag:input|type="text" id="cs_nominalmass" style="width: 8em"}}</td><td style="border: none">{{#formtag:input|type="text" id="cs_formula" style="width: 12em"}}</td></tr>
   <td>{{#formtag:input|type="radio" name="none" value="none" id="none"}}<label for="none">Lactoganglio</label></td>
  </table>
   <td>{{#formtag:input|type="radio" name="none" value="none" id="none"}}<label for="none">Ganglio a-series</label></td>
  </td>
  <td style="background-color: #ffccff">{{#formtag:input|type="button" value="calculate" style="font-weight: 600; height: 3em" id="calculate_glycosphingolipid_button"}}</td>
</tr>
<tr style="background-color: #ffcccc">
  <td rowspan="2" style="background-color: #ffaaaa; font-weight: 600">Carbohydrates</td>
  <td>Hexose<br />{{#formtag:input|type="number" min="0" value="0" id="cs_hexose" style="width: 3em"}}</td>
  <td>HexNAc<br />{{#formtag:input|type="number" min="0" value="0" id="cs_hexnac" style="width: 3em"}}</td>
  <td>NeuAc<br />{{#formtag:input|type="number" min="0" value="0" id="cs_neuac" style="width: 3em"}}</td>
  <td>NeuGc<br />{{#formtag:input|type="number" min="0" value="0" id="cs_neugc" style="width: 3em"}}</td>
  <td rowspan="7" style="background-color: white; border-right: 1px solid white; border-bottom: 1px solid white"></td>
</tr>
<tr style="background-color: #ffcccc">
  <td>Fucose<br />{{#formtag:input|type="number" min="0" value="0" id="cs_fucose" style="width: 3em"}}</td>
   <td>HexA<br />{{#formtag:input|type="number" min="0" value="0" id="cs_hexua"  style="width: 3em"}}</td>
  <td></td>
  <td></td>
</tr>
<tr style="background-color: #ccffcc">
  <td style="background-color: #aaffaa; font-weight: 600">Fatty Acids</td>
  <td>Carbon No.<br />{{#formtag:input|type="number" min="0" value="0" id="cs_fa_carbonno" style="width: 3em"}}</td>
  <td>Unsaturation<br />{{#formtag:input|type="number" min="0" value="0" id="cs_fa_unsaturation" style="width: 3em"}}</td>
   <td>Hydroxy group<br />{{#formtag:input|type="number" min="0" value="0" id="cs_fa_hydroxygroup" style="width: 3em"}}</td>
  <td rowspan="3" style="background-color: #ccffff">Polarity<br />{{#formtag:select|name="cs_polarity" id="cs_polarity"|{{#formtag:option|value="NON"|NON}}{{#formtag:option|value="NEG"|NEG}}{{#formtag:option|value="POS"|POS}} }}<br /><div id="div_charge" style="display: none">Charge<br />{{#formtag:input|type="number" min="1" value="1" id="cs_charge" style="width: 3em"}}</div>
  </td>
</tr>
<tr style="background-color: #ccccff">
  <td style="background-color: #aaaaff; font-weight: 600">Long Chain Bases</td>
  <td>Carbon No.<br />{{#formtag:input|type="number" min="5" value="5" id="cs_lcb_carbonno" style="width: 3em"}}</td>
   <td>Unsaturation<br />{{#formtag:input|type="number" min="0" value="0" id="cs_lcb_unsaturation" style="width: 3em"}}</td>
  <td>Hydroxy group<br />{{#formtag:input|type="number" min="2" value="2" id="cs_lcb_hydroxygroup" style="width: 3em"}}</td>
</tr>
<tr style="background-color: #ccccaa">
  <td style="background-color: #aaaa88; font-weight: 600">Adduct Ions</td>
  <td>Na<br />{{#formtag:input|type="number" min="0" value="0" id="cs_na" style="width: 3em"}}</td>
   <td>K<br />{{#formtag:input|type="number" min="0" value="0" id="cs_k" style="width: 3em"}}</td>
  <td>Ammonium<br />{{#formtag:input|type="number" min="0" value="0" id="cs_nh4" style="width: 3em"}}</td>
</tr>
<tr style="background-color: #cccccc">
  <td rowspan="2" style="background-color: #aaaaaa; font-weight: 600">Modification</td>
   <td>Sulfate<br />{{#formtag:input|type="number" min="0" value="0" id="cs_sulfate" style="width: 3em"}}</td>
  <td>Phosphate<br />{{#formtag:input|type="number" min="0" value="0" id="cs_phosphate" style="width: 3em"}}</td>
  <td>Methyl<br />{{#formtag:input|type="number" min="-99" value="0" id="cs_methyl" style="width: 3em"}}</td>
  <td>Acetyl<br />{{#formtag:input|type="number" min="-99" value="0" id="cs_acetyl" style="width: 3em"}}</td>
  </tr>
  </tr>
  <tr>
  <tr style="background-color: #cccccc">
   <td>{{#formtag:input|type="radio" name="none" value="none" id="none"}}<label for="none">SM/CPE/CAEP</label></td>
   <td>Lactone<br />{{#formtag:input|type="number" min="0" value="0" id="cs_lactone" style="width: 3em"}}</td>
  <td>{{#formtag:input|type="radio" name="none" value="none" id="none"}}<label for="none">Spirometo</label></td>
   <td></td>
   <td>{{#formtag:input|type="radio" name="none" value="none" id="none"}}<label for="none">GIPC GlcN</label></td>
   <td></td>
   <td>{{#formtag:input|type="radio" name="none" value="none" id="none"}}<label for="none">GIPC GlcA</label></td>
   <td>{{#formtag:input|type="hidden" min="0" value="0" id="cs_nmethylamide" style="width: 3em"}}</td>
   <td>{{#formtag:input|type="radio" name="none" value="none" id="none"}}<label for="none">GIPC Man</label></td>
  <td>{{#formtag:input|type="radio" name="none" value="none" id="none"}}<label for="none">Others</label></td>
  </tr>
  </tr>
</table>
</table>
}}


{{#formtag:fieldset||
|valign=top|
{{#formtag:legend||Polysaccharide sequence}}
<big>Examples</big>
<table>
<table>
<tr>
<tr><td>'''Ganglioside GM1 of FA 18:0, LCB d20:1''' ([[LBSG2005105]]) {{#formtag:input|type="button" value="Display" id="ex_ganglioside"}}
  <td>{{#formtag:select|name="4th"|<option>Galβ-3</option><option>Galβ-4</option><option>Glc1β-3</option><option>Glcβ-4</option><option>Manβ-3</option><option>Manβ-4</option><option>GalNAcβ-3</option><option>GalNAcβ-4</option><option>GlcNAcβ-3</option><option>GlcNAcβ-4</option><option>NeuAcα2-8</option><option selected>NeuAcα2-6</option><option>Ins-P-</option><option>other</option>}}</td>
<ul><li>Carbohydrates [3 Hexose, 1 HexNAc, 1 NeuAc]
  <td>-</td>
<li>Fatty acid [18 carbons, 0 unsaturation, 0 hydroxy group]
  <td>{{#formtag:select|name="3rd"|<option>Galβ-3</option><option>Galβ-4</option><option>Glc1β-3</option><option>Glcβ-4</option><option>Manβ-3</option><option>Manβ-4</option><option>GalNAcβ-3</option><option selected>GalNAcβ-4</option><option>GlcNAcβ-3</option><option>GlcNAcβ-4</option><option>NeuAcα2-8</option><option>NeuAcα2-6</option><option>Ins-P-</option><option>other</option>}}</td>
<li>Long chain base [20 carbons, 1 unsaturation, 2 hydroxy groups]
  <td>-</td>
</ul>
  <td>{{#formtag:select|name="2nd"|<option>Galβ-3</option><option selected>Galβ-4</option><option>Glc1β-3</option><option>Glcβ-4</option><option>Manβ-3</option><option>Manβ-4</option><option>GalNAcβ-3</option><option>GalNAcβ-4</option><option>GlcNAcβ-3</option><option>GlcNAcβ-4</option><option>NeuAcα2-8</option><option>NeuAcα2-6</option><option>Ins-P-</option><option>other</option>}}</td>
</td></tr>
  <td>-</td>
  <td>{{#formtag:select|name="1st"|<option>Glcβ-</option><option>Galβ-</option><option>Ins-P-</option><option>other</option>}} </td>
  <td>-Cer</td>
</tr>
</table>
}}


{{#formtag:input|name="cals" type="button" value="SEARCH" onclick="calculateF2M()"}}
<tr><td>'''Sulfatide of FA 24:1, LCB d18:1''' ([[LBSG1001005]]) {{#formtag:input|type="button" value="Display" id="ex_sulfatide"}}
<ul><li>Carbohydrates [1 Hexose, 0 HexNAc, 0 NeuAc]
<li>Fatty acid [24 carbons, 1 unsaturation, 0 hydroxy group]
<li>Long chain base [18 carbons, 1 unsaturation, 2 hydroxy groups]
<li>Modification [Sulfate: 1]
</ul>
</td></tr>


<tr><td>'''Lactotetraosylceramide of FA 16:0, LCB t18:0''' ([[LBSG3B04001]]) {{#formtag:input|type="button" value="Display" id="ex_lactotetraosylceramide"}}
<ul><li>Carbohydrates [3 Hexose, 1 HexNAc, 0 NeuAc]
<li>Fatty acid [16 carbons, 0 unsaturation, 1 hydroxy group]
<li>Long chain base [18 carbons, 0 unsaturation, 3 hydroxy groups]
</ul>
</td></tr>


</table>
|}


<!---
{{#formtag:fieldset||
{{#formtag:fieldset||
{{#formtag:legend||Display setting}}
{{#formtag:legend||Display setting}}
Line 97: Line 207:
</table>
</table>
}}
}}
--->

Latest revision as of 04:25, 25 January 2023

Search from Structure

  • Search from Sphingolipid Major Series
  • Search from Specific Sugars
  • Search from the non-reducing end pattern (click "Show" to expand the table)
  • Search from the sugar sequence (List allchains)
    - - - -  

    Advanced search

    Loading.gif loading...


Search From Mass

Glycosphingolipid Mass Calculator for MS Analysis
Exact MassNominal MassFormula
Carbohydrates Hexose
 HexNAc
 NeuAc
 NeuGc
Fucose
 HexA
Fatty Acids Carbon No.
 Unsaturation
 Hydroxy group
 Polarity
Long Chain Bases Carbon No.
 Unsaturation
 Hydroxy group
Adduct Ions Na
 K
 Ammonium
Modification Sulfate
 Phosphate
 Methyl
 Acetyl
Lactone

Examples

Ganglioside GM1 of FA 18:0, LCB d20:1 (LBSG2005105)
  • Carbohydrates [3 Hexose, 1 HexNAc, 1 NeuAc]
  • Fatty acid [18 carbons, 0 unsaturation, 0 hydroxy group]
  • Long chain base [20 carbons, 1 unsaturation, 2 hydroxy groups]
Sulfatide of FA 24:1, LCB d18:1 (LBSG1001005)
  • Carbohydrates [1 Hexose, 0 HexNAc, 0 NeuAc]
  • Fatty acid [24 carbons, 1 unsaturation, 0 hydroxy group]
  • Long chain base [18 carbons, 1 unsaturation, 2 hydroxy groups]
  • Modification [Sulfate: 1]
Lactotetraosylceramide of FA 16:0, LCB t18:0 (LBSG3B04001)
  • Carbohydrates [3 Hexose, 1 HexNAc, 0 NeuAc]
  • Fatty acid [16 carbons, 0 unsaturation, 1 hydroxy group]
  • Long chain base [18 carbons, 0 unsaturation, 3 hydroxy groups]


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