SPARQL query: From an external identifier, retrieve the MNXref identifier

smoretti

MetaNetX.org compound compound SPARQL query

From an external identifier, retrieve the MNXref identifier

For the KEGG compound C01732, retrieve the MNXref identifier, name and reference

Reuse these data in your code

Query, endpoint and code for reusing the same data

Endpoint:

https://rdf.metanetx.org/sparql

Query:

# For the KEGG compound *C01732*, retrieve the MNXref 
# identifier, name and reference. 

PREFIX mnx: <https://rdf.metanetx.org/schema/>
PREFIX owl: <http://www.w3.org/2002/07/owl#>
PREFIX rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#>
PREFIX rdfs: <http://www.w3.org/2000/01/rdf-schema#>
PREFIX keggC: <https://identifiers.org/kegg.compound:>
SELECT ?metabolite ?reference ?name
FROM <https://rdf.metanetx.org/>
WHERE {
    ?metabolite a mnx:CHEM .
    ?metabolite mnx:chemRefer ?reference .
    ?metabolite rdfs:comment ?name .
    ?metabolite mnx:chemXref keggC:C01732
}

Howto write a query SPARQL? (in French)

{{#sparql:# For the KEGG compound *C01732*, retrieve the MNXref 
# identifier, name and reference. 

PREFIX mnx: <https://rdf.metanetx.org/schema/>
PREFIX owl: <http://www.w3.org/2002/07/owl#>
PREFIX rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#>
PREFIX rdfs: <http://www.w3.org/2000/01/rdf-schema#>
PREFIX keggC: <https://identifiers.org/kegg.compound:>
SELECT ?metabolite ?reference ?name
FROM <https://rdf.metanetx.org/>
WHERE {
    ?metabolite a mnx:CHEM .
    ?metabolite mnx:chemRefer ?reference .
    ?metabolite rdfs:comment ?name .
    ?metabolite mnx:chemXref keggC:C01732
}
| endpoint = https://rdf.metanetx.org/sparql
| chart=bordercloud.visualization.DataTable
| options=
| log=2
}}

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Test this script in a new tab.

<html>
    <head>
        <script src="https://ajax.googleapis.com/ajax/libs/jquery/3.4.1/jquery.min.js"  async></script>
    </head>
    <body onload="testQuery();">
        <script>
function testQuery(){
    var endpoint = "https://rdf.metanetx.org/sparql";
    var query = `# For the KEGG compound *C01732*, retrieve the MNXref 
# identifier, name and reference. 

PREFIX mnx: <https://rdf.metanetx.org/schema/>
PREFIX owl: <http://www.w3.org/2002/07/owl#>
PREFIX rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#>
PREFIX rdfs: <http://www.w3.org/2000/01/rdf-schema#>
PREFIX keggC: <https://identifiers.org/kegg.compound:>
SELECT ?metabolite ?reference ?name
FROM <https://rdf.metanetx.org/>
WHERE {
    ?metabolite a mnx:CHEM .
    ?metabolite mnx:chemRefer ?reference .
    ?metabolite rdfs:comment ?name .
    ?metabolite mnx:chemXref keggC:C01732
}`;

   // $('#bodyContentResearch').append(queryDataset);
    $.ajax({
                url: endpoint,
                dataType: 'json',
                data: {
                    queryLn: 'SPARQL',
                    query: query ,
                    limit: 'none',
                    infer: 'true',
                    Accept: 'application/sparql-results+json'
                },
                success: displayResult,
                error: displayError
        });
}

function displayError(xhr, textStatus, errorThrown) {
    console.log(textStatus);
    console.log(errorThrown);
}

function displayResult(data) {
    $.each(data.results.bindings, function(index, bs) {
        console.log(bs);
        $("body").append(JSON.stringify(bs) + "<hr/>");
    });
}

        </script>
    </body>
</html>

Test this script in a new tab.

<html>
    <head>
        <script src="https://ajax.googleapis.com/ajax/libs/jquery/3.4.1/jquery.min.js"  async></script>
    </head>
    <body onload="testQuery();">
        <script>
function testQuery(){
    var url = new URL("https://rdf.metanetx.org/sparql");
    var params = {query:`# For the KEGG compound *C01732*, retrieve the MNXref 
# identifier, name and reference. 

PREFIX mnx: <https://rdf.metanetx.org/schema/>
PREFIX owl: <http://www.w3.org/2002/07/owl#>
PREFIX rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#>
PREFIX rdfs: <http://www.w3.org/2000/01/rdf-schema#>
PREFIX keggC: <https://identifiers.org/kegg.compound:>
SELECT ?metabolite ?reference ?name
FROM <https://rdf.metanetx.org/>
WHERE {
    ?metabolite a mnx:CHEM .
    ?metabolite mnx:chemRefer ?reference .
    ?metabolite rdfs:comment ?name .
    ?metabolite mnx:chemXref keggC:C01732
}`};

    url.search = new URLSearchParams(params).toString();

    var myHeaders = new Headers();
    myHeaders.append("Accept", "application/sparql-results+json");

    var requestOptions = {
      method: 'GET',
      headers: myHeaders,
      redirect: 'follow'
    };

    fetch(url, requestOptions)
        .then(response => response.json())
        .then(result => displayResult(result))
        .catch(error => displayError(error));
}

function displayError(error) {
    console.log(error);
}

function displayResult(data) {
    data.results.bindings.forEach(bs => {
            console.log(bs);
            $("body").append(JSON.stringify(bs) + "<hr/>");
    });
}
        </script>
    </body>
</html>

Test this script in a new tab (Careful, several charts need a API key).
Howto insert this graph in my html page?

<html>
    <head>
     <link rel="stylesheet" href="https://stackpath.bootstrapcdn.com/bootstrap/4.3.1/css/bootstrap.min.css" integrity="sha384-ggOyR0iXCbMQv3Xipma34MD+dH/1fQ784/j6cY/iJTQUOhcWr7x9JvoRxT2MZw1T" crossorigin="anonymous">

     <link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.9.0/css/all.min.css">

     <script
            src="https://code.jquery.com/jquery-3.4.1.min.js"
            integrity="sha256-CSXorXvZcTkaix6Yvo6HppcZGetbYMGWSFlBw8HfCJo="
            crossorigin="anonymous"> </script>
     <script src="https://cdnjs.cloudflare.com/ajax/libs/popper.js/1.14.7/umd/popper.min.js" integrity="sha384-UO2eT0CpHqdSJQ6hJty5KVphtPhzWj9WO1clHTMGa3JDZwrnQq4sF86dIHNDz0W1" crossorigin="anonymous"> </script>
     <script src="https://stackpath.bootstrapcdn.com/bootstrap/4.3.1/js/bootstrap.min.js" integrity="sha384-JjSmVgyd0p3pXB1rRibZUAYoIIy6OrQ6VrjIEaFf/nJGzIxFDsf4x0xIM+B07jRM" crossorigin="anonymous"> </script>

     <script type="text/javascript" src="https://bordercloud.github.io/sgvizler2/sgvizler2/sgvizler2.js" defer> </script>
     <script type="text/javascript" src="https://linkedwiki.com/js/initExampleHTML.js"  defer > </script>
    </head>
<body style="margin:0;">
<div id="sgvzl_example_query"
   data-sgvizler-endpoint="https://rdf.metanetx.org/sparql"
   data-sgvizler-query="# For the KEGG compound *C01732*, retrieve the MNXref 
# identifier, name and reference. 

PREFIX mnx: &lt;https://rdf.metanetx.org/schema/&gt;
PREFIX owl: &lt;http://www.w3.org/2002/07/owl#&gt;
PREFIX rdf: &lt;http://www.w3.org/1999/02/22-rdf-syntax-ns#&gt;
PREFIX rdfs: &lt;http://www.w3.org/2000/01/rdf-schema#&gt;
PREFIX keggC: &lt;https://identifiers.org/kegg.compound:&gt;
SELECT ?metabolite ?reference ?name
FROM &lt;https://rdf.metanetx.org/&gt;
WHERE {
    ?metabolite a mnx:CHEM .
    ?metabolite mnx:chemRefer ?reference .
    ?metabolite rdfs:comment ?name .
    ?metabolite mnx:chemXref keggC:C01732
}"
    data-sgvizler-chart='bordercloud.visualization.DataTable'
    data-sgvizler-chart-options=''
    data-sgvizler-endpoint_output_format='json'
    data-sgvizler-log='2'
    style='width:100%; height:auto;'
    lang='en'
   />

<script>
/*$(function() {
   sgvizler2.containerDrawAll({
       // Google Api key
       googleApiKey : "GOOGLE_MAP_API_KEY",
       // OpenStreetMap Access Token
       //  https://www.mapbox.com/api-documentation/#access-tokens
       osmAccessToken : "OSM_MAP_API_KEY"
     });
});*/
</script>

</body>
</html>

from SPARQLWrapper import SPARQLWrapper, JSON

sparql = SPARQLWrapper("https://rdf.metanetx.org/sparql")
sparql.setQuery("""
    # For the KEGG compound *C01732*, retrieve the MNXref 
# identifier, name and reference. 

PREFIX mnx: <https://rdf.metanetx.org/schema/>
PREFIX owl: <http://www.w3.org/2002/07/owl#>
PREFIX rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#>
PREFIX rdfs: <http://www.w3.org/2000/01/rdf-schema#>
PREFIX keggC: <https://identifiers.org/kegg.compound:>
SELECT ?metabolite ?reference ?name
FROM <https://rdf.metanetx.org/>
WHERE {
    ?metabolite a mnx:CHEM .
    ?metabolite mnx:chemRefer ?reference .
    ?metabolite rdfs:comment ?name .
    ?metabolite mnx:chemXref keggC:C01732
}""")
sparql.setReturnFormat(JSON)
results = sparql.query().convert()

for result in results["results"]["bindings"]:
    print(result)
    #print(result["label"]["value"])

Howto use SPARQL with Python ?

library(SPARQL) # SPARQL querying package
library(ggplot2)

# Step 1 - Set up preliminaries and define query
# Define the data.gov endpoint
    endpoint <- "https://rdf.metanetx.org/sparql"
# create query statement
    query <- "# For the KEGG compound *C01732*, retrieve the MNXref 
# identifier, name and reference. 

PREFIX mnx: <https://rdf.metanetx.org/schema/>
PREFIX owl: <http://www.w3.org/2002/07/owl#>
PREFIX rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#>
PREFIX rdfs: <http://www.w3.org/2000/01/rdf-schema#>
PREFIX keggC: <https://identifiers.org/kegg.compound:>
SELECT ?metabolite ?reference ?name
FROM <https://rdf.metanetx.org/>
WHERE {
    ?metabolite a mnx:CHEM .
    ?metabolite mnx:chemRefer ?reference .
    ?metabolite rdfs:comment ?name .
    ?metabolite mnx:chemXref keggC:C01732
}"
# Step 2 - Use SPARQL package to submit query and save results to a data frame
qd <- SPARQL(endpoint,query,curl_args=list(useragent=R.version.string))
df <- qd$results

SPARQL with R in less than 5 minutes

#!/usr/bin/env ruby
#
# Install sparql for Ruby
#   gem update --system
#   gem install sparql
#
require 'sparql/client'

endpoint = "https://rdf.metanetx.org/sparql"
sparql = <<-EOT
# For the KEGG compound *C01732*, retrieve the MNXref 
# identifier, name and reference. 

PREFIX mnx: <https://rdf.metanetx.org/schema/>
PREFIX owl: <http://www.w3.org/2002/07/owl#>
PREFIX rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#>
PREFIX rdfs: <http://www.w3.org/2000/01/rdf-schema#>
PREFIX keggC: <https://identifiers.org/kegg.compound:>
SELECT ?metabolite ?reference ?name
FROM <https://rdf.metanetx.org/>
WHERE {
    ?metabolite a mnx:CHEM .
    ?metabolite mnx:chemRefer ?reference .
    ?metabolite rdfs:comment ?name .
    ?metabolite mnx:chemXref keggC:C01732
}
EOT

#For Wikidata, the method get is required
#For other SPARQL endpoints, the method post is prefered
client = SPARQL::Client.new(endpoint, :method => :get)
rows = client.query(sparql)

puts "Number of rows: #{rows.size}"
for row in rows
  for key,val in row do
    # print "#{key.to_s.ljust(10)}: #{val}\t"
    print "#{key}: #{val}\t"
  end
  print "\n"
end

Doc Ruby for SPARQL 1.1

endpoint = 'https://rdf.metanetx.org/sparql';

query = ['# For the KEGG compound *C01732*, retrieve the MNXref  '...
'# identifier, name and reference.  '...
' '...
'PREFIX mnx: <https://rdf.metanetx.org/schema/> '...
'PREFIX owl: <http://www.w3.org/2002/07/owl#> '...
'PREFIX rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#> '...
'PREFIX rdfs: <http://www.w3.org/2000/01/rdf-schema#> '...
'PREFIX keggC: <https://identifiers.org/kegg.compound:> '...
'SELECT ?metabolite ?reference ?name '...
'FROM <https://rdf.metanetx.org/> '...
'WHERE { '...
'    ?metabolite a mnx:CHEM . '...
'    ?metabolite mnx:chemRefer ?reference . '...
'    ?metabolite rdfs:comment ?name . '...
'    ?metabolite mnx:chemXref keggC:C01732 '...
'} '];

url_head = strcat(endpoint,'?query=');
url_query = urlencode(query);
format = 'text/tab-separated-values';
url_tail = strcat('&format=', format);

url = strcat(url_head, url_query, url_tail);

% get the data from the endpoint
query_results = urlread(url);

% write the data to a file so that tdfread can parse it
fid = fopen('query_results.txt','w');
if fid>=0
    fprintf(fid, '%s\n', query_results)
    fclose(fid)
end

% this reads the tsv file into a struct
sparql_data = tdfread('query_results.txt')

Project Github MatlabSPARQL

<?php
require __DIR__ . '/../vendor/autoload.php';
use BorderCloud\SPARQL\SparqlClient;

$endpoint ="https://rdf.metanetx.org/sparql";
$sp_readonly = new SparqlClient();
$sp_readonly->setEndpointRead($endpoint);
$q = <<<EOD
# For the KEGG compound *C01732*, retrieve the MNXref 
# identifier, name and reference. 

PREFIX mnx: <https://rdf.metanetx.org/schema/>
PREFIX owl: <http://www.w3.org/2002/07/owl#>
PREFIX rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#>
PREFIX rdfs: <http://www.w3.org/2000/01/rdf-schema#>
PREFIX keggC: <https://identifiers.org/kegg.compound:>
SELECT ?metabolite ?reference ?name
FROM <https://rdf.metanetx.org/>
WHERE {
    ?metabolite a mnx:CHEM .
    ?metabolite mnx:chemRefer ?reference .
    ?metabolite rdfs:comment ?name .
    ?metabolite mnx:chemXref keggC:C01732
}
EOD;
$rows = $sp_readonly->query($q, 'rows');
$err = $sp_readonly->getErrors();
if ($err) {
      print_r($err);
      throw new Exception(print_r($err, true));
}

foreach ($rows["result"]["variables"] as $variable) {
        printf("%-20.20s",$variable);
        echo '|';
 }
 echo "\n";

foreach ($rows["result"]["rows"] as $row) {
        foreach ($rows["result"]["variables"] as $variable) {
            printf("%-20.20s", $row[$variable]);
            echo '|';
        }
        echo "\n";
 }
 ?>

Project Github BorderCloud/SPARQL

import com.bordercloud.sparql.*;

import java.net.URI;
import java.net.URISyntaxException;
import java.util.HashMap;

public class Main {

    public static void main(String[] args) {
        try {
            URI endpoint = new URI("https://rdf.metanetx.org/sparql");
            String querySelect  = "# For the KEGG compound *C01732*, retrieve the MNXref  \n"
                    + "# identifier, name and reference.  \n"
                    + " \n"
                    + "PREFIX mnx: <https://rdf.metanetx.org/schema/> \n"
                    + "PREFIX owl: <http://www.w3.org/2002/07/owl#> \n"
                    + "PREFIX rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#> \n"
                    + "PREFIX rdfs: <http://www.w3.org/2000/01/rdf-schema#> \n"
                    + "PREFIX keggC: <https://identifiers.org/kegg.compound:> \n"
                    + "SELECT ?metabolite ?reference ?name \n"
                    + "FROM <https://rdf.metanetx.org/> \n"
                    + "WHERE { \n"
                    + "    ?metabolite a mnx:CHEM . \n"
                    + "    ?metabolite mnx:chemRefer ?reference . \n"
                    + "    ?metabolite rdfs:comment ?name . \n"
                    + "    ?metabolite mnx:chemXref keggC:C01732 \n"
                    + "} \n";
            SparqlClient sc = new SparqlClient(false);
            sc.setEndpointRead(endpoint);
            SparqlResult sr = sc.query(querySelect);
            //sc.printLastQueryAndResult();

            printResult(sr.getModel(),30);
        } catch (URISyntaxException | SparqlClientException e) {
            System.out.println(e);
            e.printStackTrace();
        }
    }

    public static void printResult(SparqlResultModel rs , int size) {
        for (String variable : rs.getVariables()) {
            System.out.print(String.format("%-"+size+"."+size+"s", variable ) + " | ");
        }
        System.out.print("\n");
        for (HashMap row : rs.getRows()) {
            for (String variable : rs.getVariables()) {
                System.out.print(String.format("%-"+size+"."+size+"s", row.get(variable)) + " | ");
            }
            System.out.print("\n");
        }
    }
}

For example, with Gradle :

apply plugin: 'java'
apply plugin: 'application'

// This comes out to package + '.' + mainClassName
mainClassName = 'Main'

group 'org.example'
version '1.0-SNAPSHOT'

repositories {
    mavenCentral()
}
dependencies {
    compile "com.bordercloud:SPARQL-JAVA:[1.0,)"
}

Project Github BorderCloud/SPARQL-JAVA
Other SPARQL client : RDF4J

You can use the SPARQL clients in Java : BorderCloud/SPARQL-JAVA or RDF4J

Table view

Simple view on the data

Reuse these data in your code

Query, endpoint and code for reusing the same data