Source:http://biocyc.org/biopax/biopax-level3ChemicalStructure171140
| Predicate | Object |
|---|---|
| rdf:type | |
| biopax3:structureData |
<cml> <molecule id="Thyroglobulin-3-5-diiodotyrosines" title="[thyroglobulin]-3,5-diiodotyrosine" formalCharge="0" dictRef="dictThyroglobulin-3-5-diiodotyrosines"> <atomArray> <atom id="Thyroglobulin-3-5-diiodotyrosines-atom1" elementType="Protein" x2="-39704.0" y2="-22687.0"/> <atom id="Thyroglobulin-3-5-diiodotyrosines-atom2" elementType="N" x2="-32559.0" y2="-18562.0"/> <atom id="Thyroglobulin-3-5-diiodotyrosines-atom3" elementType="C" x2="-25414.0" y2="-22687.0"/> <atom id="Thyroglobulin-3-5-diiodotyrosines-atom4" elementType="C" x2="-18269.0" y2="-18562.0"/> <atom id="Thyroglobulin-3-5-diiodotyrosines-atom5" elementType="C" x2="-11125.0" y2="-22687.0"/> <atom id="Thyroglobulin-3-5-diiodotyrosines-atom6" elementType="O" x2="-25414.0" y2="-30937.0"/> <atom id="Thyroglobulin-3-5-diiodotyrosines-atom7" elementType="N" x2="-18269.0" y2="-10312.0"/> <atom id="Thyroglobulin-3-5-diiodotyrosines-atom8" elementType="C" x2="-24735.0" y2="-5188.0"/> <atom id="Thyroglobulin-3-5-diiodotyrosines-atom9" elementType="Protein" x2="-24629.0" y2="3061.0"/> <atom id="Thyroglobulin-3-5-diiodotyrosines-atom10" elementType="O" x2="-32185.0" y2="-8731.0"/> <atom id="Thyroglobulin-3-5-diiodotyrosines-atom11" elementType="C" x2="-3980.0" y2="-18562.0"/> <atom id="Thyroglobulin-3-5-diiodotyrosines-atom12" elementType="C" x2="3165.0" y2="-22688.0"/> <atom id="Thyroglobulin-3-5-diiodotyrosines-atom13" elementType="C" x2="-3980.0" y2="-10312.0"/> <atom id="Thyroglobulin-3-5-diiodotyrosines-atom14" elementType="C" x2="3165.0" y2="-6187.0"/> <atom id="Thyroglobulin-3-5-diiodotyrosines-atom15" elementType="C" x2="10309.0" y2="-10312.0"/> <atom id="Thyroglobulin-3-5-diiodotyrosines-atom16" elementType="C" x2="10309.0" y2="-18562.0"/> <atom id="Thyroglobulin-3-5-diiodotyrosines-atom17" elementType="O" x2="17454.0" y2="-6187.0"/> <atom id="Thyroglobulin-3-5-diiodotyrosines-atom18" elementType="I" x2="17454.0" y2="-22686.0"/> <atom id="Thyroglobulin-3-5-diiodotyrosines-atom19" elementType="I" x2="3165.0" y2="2063.0"/> </atomArray> <bondArray> <bond id="Thyroglobulin-3-5-diiodotyrosines-bond1" atomRefs="Thyroglobulin-3-5-diiodotyrosines-atom1 Thyroglobulin-3-5-diiodotyrosines-atom2" order="1"/> <bond id="Thyroglobulin-3-5-diiodotyrosines-bond2" atomRefs="Thyroglobulin-3-5-diiodotyrosines-atom2 Thyroglobulin-3-5-diiodotyrosines-atom3" order="1"/> <bond id="Thyroglobulin-3-5-diiodotyrosines-bond3" atomRefs="Thyroglobulin-3-5-diiodotyrosines-atom3 Thyroglobulin-3-5-diiodotyrosines-atom4" order="1"/> <bond id="Thyroglobulin-3-5-diiodotyrosines-bond4" atomRefs="Thyroglobulin-3-5-diiodotyrosines-atom4 Thyroglobulin-3-5-diiodotyrosines-atom5" order="1"/> <bond id="Thyroglobulin-3-5-diiodotyrosines-bond5" atomRefs="Thyroglobulin-3-5-diiodotyrosines-atom3 Thyroglobulin-3-5-diiodotyrosines-atom6" order="2"/> <bond id="Thyroglobulin-3-5-diiodotyrosines-bond6" atomRefs="Thyroglobulin-3-5-diiodotyrosines-atom4 Thyroglobulin-3-5-diiodotyrosines-atom7" order="1"/> <bond id="Thyroglobulin-3-5-diiodotyrosines-bond7" atomRefs="Thyroglobulin-3-5-diiodotyrosines-atom7 Thyroglobulin-3-5-diiodotyrosines-atom8" order="1"/> <bond id="Thyroglobulin-3-5-diiodotyrosines-bond8" atomRefs="Thyroglobulin-3-5-diiodotyrosines-atom8 Thyroglobulin-3-5-diiodotyrosines-atom9" order="1"/> <bond id="Thyroglobulin-3-5-diiodotyrosines-bond9" atomRefs="Thyroglobulin-3-5-diiodotyrosines-atom8 Thyroglobulin-3-5-diiodotyrosines-atom10" order="2"/> <bond id="Thyroglobulin-3-5-diiodotyrosines-bond10" atomRefs="Thyroglobulin-3-5-diiodotyrosines-atom5 Thyroglobulin-3-5-diiodotyrosines-atom11" order="1"/> <bond id="Thyroglobulin-3-5-diiodotyrosines-bond11" atomRefs="Thyroglobulin-3-5-diiodotyrosines-atom12 Thyroglobulin-3-5-diiodotyrosines-atom11" order="2"/> <bond id="Thyroglobulin-3-5-diiodotyrosines-bond12" atomRefs="Thyroglobulin-3-5-diiodotyrosines-atom11 Thyroglobulin-3-5-diiodotyrosines-atom13" order="1"/> <bond id="Thyroglobulin-3-5-diiodotyrosines-bond13" atomRefs="Thyroglobulin-3-5-diiodotyrosines-atom13 Thyroglobulin-3-5-diiodotyrosines-atom14" order="2"/> <bond id="Thyroglobulin-3-5-diiodotyrosines-bond14" atomRefs="Thyroglobulin-3-5-diiodotyrosines-atom14 Thyroglobulin-3-5-diiodotyrosines-atom15" order="1"/> <bond id="Thyroglobulin-3-5-diiodotyrosines-bond15" atomRefs="Thyroglobulin-3-5-diiodotyrosines-atom15 Thyroglobulin-3-5-diiodotyrosines-atom16" order="2"/> <bond id="Thyroglobulin-3-5-diiodotyrosines-bond16" atomRefs="Thyroglobulin-3-5-diiodotyrosines-atom12 Thyroglobulin-3-5-diiodotyrosines-atom16" order="1"/> <bond id="Thyroglobulin-3-5-diiodotyrosines-bond17" atomRefs="Thyroglobulin-3-5-diiodotyrosines-atom15 Thyroglobulin-3-5-diiodotyrosines-atom17" order="1"/> <bond id="Thyroglobulin-3-5-diiodotyrosines-bond18" atomRefs="Thyroglobulin-3-5-diiodotyrosines-atom16 Thyroglobulin-3-5-diiodotyrosines-atom18" order="1"/> <bond id="Thyroglobulin-3-5-diiodotyrosines-bond19" atomRefs="Thyroglobulin-3-5-diiodotyrosines-atom14 Thyroglobulin-3-5-diiodotyrosines-atom19" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">C(=O)([Protein])NC(CC1(C=C(I)C(O)=C(I)C=1))C(=O)N[Protein]</string> </molecule> </cml>
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| biopax3:structureFormat |
CML
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