Category:LBS/Search: Difference between revisions

Revision as of 00:52, 24 April 2017

{{#includejs:LBSSearch.js}} {{#includejs:CalculateMass.js|calculateF2M|calc_formula|calc_mass}} {{#includejs:AdvancedLBSSearch.js}}

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Search From Mass

Mass calculator

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Precursor Mass (polysaccharide part only) → Product Masses (comma separated) (tolerance )

Glycosphingolipid Mass Calculator

Mass	Nominal Mass	Formula

Carbohydrates

Hexose

HexNAc

NeuAc

NeuGc

Fucose

HexUA

Lactone

Fatty Acids

Carbon No.

Unsaturation

Hydroxy group

Polarity

Charge

Long Chain Bases

Carbon No.

Unsaturation

Hydroxy group

Adduct Ions

Na

K

Ca

Modification

Sulfate

Phosphate

Methyl

Acetyl

N-Methylamide

Search from Structure

Search by Sphingolipid Major Series
Search by Specific Sugars

Search from the non-reducing end pattern (click "Show" to expand the table)

Name	Structure
1=Structure=GalNAca1-3\(Fuca1-2\)Galb1-3GlcNAcb1-3\|Blood group A	GalNAc_α1-3(Fuc_α1-2)Gal_β1-3GlcNAc_β1-3-R
1=Structure=Gala1-3\(Fuca1-2\)Galb1-3GlcNAcb1-3\|Blood group B	Gal_α1-3(Fuc_α1-2)Gal_β1-3GlcNAc_β1-3-R
1=Structure=Fuca1-2Galb1-3GlcNAcb1-3\|Blood group H	Fuc_α1-2Gal_β1-3GlcNAc_β1-3-R
1=Structure=Galb1-3\(Fuca1-4\)GlcNAcb1-3\|Lewis ^a	Gal_β1-3(Fuc_α1-4)GlcNAc_β1-3-R
1=Structure=Fuca1-2Galb1-3\(Fuca1-4\)GlcNAcb1-3\|Lewis ^b	Fuc_α1-2Gal_β1-3(Fuc_α1-4)GlcNAc_β1-3-R
1=Structure=NeuAca2-3Galb1-3\(Fuca1-4\)GlcNAcb1-3\|sialyl-Lewis^a	NeuAc_α2-3Gal_β1-3(Fuc_α1-4)GlcNAc_β1-3-R
1=Structure=Galb1-4\(Fuca1-3\)GlcNAcb1-3\|Lewis ^x, SSEA-1	Gal_β1-4(Fuc_α1-3)GlcNAc_β1-3-R
1=Structure=Fuca1-2Galb1-4\(Fuca1-3\)GlcNAcb1-3\|Lewis ^y	Fuc_α1-2Gal_β1-4(Fuc_α1-3)GlcNAc_β1-3-R
1=Structure=NeuAca2-3Galb1-4\(Fuca1-3\)GlcNAcb1-3\|sialyl-Lewis ^x	NeuAc_α2-3Gal_β1-4(Fuc_α1-3)GlcNAc_β1-3-R
1=Structure=GalNAca1-3GalNAcb1-3Gala1-4Galb1-4Glcb1\|Forssman antigen	GalNAc_α1-3GalNAc_β1-3Gal_α1-4Gal_β1-4Glc_β1-R
1=Structure=GalNAcb1-3Gala1-4Galb1-4Glcb1\|P antigen	GalNAc_β1-3Gal_α1-4Gal_β1-4Glc_β1-R

Search from the polysaccharide sequence

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Polysaccharide sequence (Advanced)

{{#persist:ListMainchain|List mainchain|ListMainchain|0|dummy|;}}

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@@ Line 45: / Line 45: @@
 {{#formtag:input|name="cals" type="button" value="SEARCH" disabled="yes" onclick="calculateF2M()"}}
+<!-- Glycosphingolipid Mass Calculator -->
+<table class="wikitable collapsible collapsed" border=1 cellspacing=0 cellpadding=5 style="font-size: small">
+ <tr><th colspan="5" style="text-align: center; font-weight: 600">Glycosphingolipid Mass Calculator</th></tr>
+ <tr style="background-color: #ffccff">
+  <td colspan="5">
+   <table style="text-align: center; font-weight: 600">
+    <tr><td style="border: none">{{#formtag:select|name="cs_average" id="cs_average"|{{#formtag:option|value="true"|Average}}{{#formtag:option|value="false"|Exact}} }} Mass</td><td style="border: none">Nominal Mass</td><td style="border: none">Formula</td></tr>
+    <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: 6em"}}</td><td style="border: none">{{#formtag:input|type="text" id="cs_formula" style="width: 14em"}}</td></tr>
+   </table>
+  </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>
+ </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>HexUA<br />{{#formtag:input|type="number" min="0" value="0" id="cs_hexua"  style="width: 3em"}}</td>
+  <td>Lactone<br />{{#formtag:input|type="number" min="0" value="0" id="cs_lactone" style="width: 3em"}}</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="0"|NON}}{{#formtag:option|value="1"|POS}}{{#formtag:option|value="-1"|NEG}} }}<br />Charge<br />{{#formtag:input|type="number" min="1" value="1" id="cs_charge" style="width: 3em" disabled="yes"}}
+  </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="0" value="0" 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>Ca<br />{{#formtag:input|type="number" min="0" value="0" id="cs_ca" 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 style="background-color: #cccccc">
+  <td>N-Methylamide<br />{{#formtag:input|type="number" min="0" value="0" id="cs_nmethylamide" style="width: 3em"}}</td>
+  <td colspan="2"></td>
+  <td style="background-color: #ffffff">{{#formtag:input|type="button" value="calculate" id="calculate_glycosphingolipid_button"}}</td>
+ </tr>
+</table>
 ==Search from Structure==

Category:LBS/Search: Difference between revisions

Revision as of 00:52, 24 April 2017

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