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    <!-- http://purl.obolibrary.org/obo/CHEBI_2596 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_2596">
        <rdfs:label>alliin</rdfs:label>
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        <ns4:charge rdf:datatype="http://www.w3.org/2001/XMLSchema#integer">0</ns4:charge>
        <ns4:monoisotopic_mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">177.04596</ns4:monoisotopic_mass>
        <ns4:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">177.225</ns4:mass>
        <oboInOwl:hasDbXref>pubmed:21391887</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>reaxys:6767615</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:20091890</oboInOwl:hasDbXref>
        <ns4:inchi_string>InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-,11-/m0/s1</ns4:inchi_string>
        <oboInOwl:hasDbXref>pubmed:26934847</oboInOwl:hasDbXref>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasDbXref>pubmed:25372692</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>S-Allyl-L-cystein-S-oxide</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:18172887</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:17262437</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>S-allyl-L-cysteine sulfoxide</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:26345717</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>hmdb:HMDB0033592</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>(S)-S-Allyl-L-cysteine sulfoxide</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>kegg.compound:C08265</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:24657412</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:16999975</oboInOwl:hasDbXref>
        <oboInOwl:id>CHEBI:2596</oboInOwl:id>
        <oboInOwl:hasExactSynonym>3-[(S)-prop-2-ene-1-sulfinyl]-L-alanine</oboInOwl:hasExactSynonym>
        <oboInOwl:hasDbXref>pubmed:26638713</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:18034739</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Alliin</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>agr:IND601136412</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:19262997</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>cas:556-27-4</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>(S)-3-(Allylsulphinyl)-L-alanine</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:17702402</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:25620969</oboInOwl:hasDbXref>
        <ns4:smiles_string>C=CC[S@](=O)C[C@H](N)C(=O)O</ns4:smiles_string>
        <oboInOwl:hasDbXref>pubmed:20015835</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:23158347</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>agr:IND601322842</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:19949059</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>3-[(S)-prop-2-ene-1-sulfinyl]-L-alanine</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>knapsack:C00001336</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:25577881</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>(+)-L-Alliin</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>metacyc.compound:CPD-9269</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:26374695</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>3-(Allylsulfinyl)alanine</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>wikipedia.en:Alliin</oboInOwl:hasDbXref>
        <ns3:IAO_0000115>An &lt;small&gt;L&lt;/small&gt;-alanine derivative in which one of the methyl hydrogens of &lt;small&gt;L&lt;/small&gt;-alanine has been replaced by an (&lt;em&gt;S&lt;/em&gt;)-allylsulfinyl group.</ns3:IAO_0000115>
        <oboInOwl:hasDbXref>pubmed:22606693</oboInOwl:hasDbXref>
        <ns4:inchi_key_string>XUHLIQGRKRUKPH-DYEAUMGKSA-N</ns4:inchi_key_string>
        <oboInOwl:hasDbXref>pubmed:24453416</oboInOwl:hasDbXref>
        <ns4:generalized_empirical_formula>C6H11NO3S</ns4:generalized_empirical_formula>
        <oboInOwl:hasDbXref>pubmed:19271323</oboInOwl:hasDbXref>
        <oboInOwl:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi/3_STAR"/>
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    <!-- http://purl.obolibrary.org/obo/CHEBI_33709 -->

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