biopax-level3ChemicalStructure151007

Source:http://biocyc.org/biopax/biopax-level3ChemicalStructure151007

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	biopax3:ChemicalStructure
biopax3:structureData	<cml> <molecule id="Heparan-sulfate-3-N-disulfate" title="[heparan sulfate]-alpha-D-N-sulfoglucosamine-3-O-sulfate" formalCharge="-2" dictRef="dictHeparan-sulfate-3-N-disulfate"> <atomArray> <atom id="Heparan-sulfate-3-N-disulfate-atom1" elementType="O" x2="-25929.0" y2="-10607.0"/> <atom id="Heparan-sulfate-3-N-disulfate-atom2" elementType="C" x2="-33073.0" y2="-6482.0"/> <atom id="Heparan-sulfate-3-N-disulfate-atom3" elementType="C" x2="-33073.0" y2="1768.0"/> <atom id="Heparan-sulfate-3-N-disulfate-atom4" elementType="C" x2="-25929.0" y2="5893.0"/> <atom id="Heparan-sulfate-3-N-disulfate-atom5" elementType="C" x2="-18784.0" y2="1768.0"/> <atom id="Heparan-sulfate-3-N-disulfate-atom6" elementType="C" x2="-18784.0" y2="-6482.0"/> <atom id="Heparan-sulfate-3-N-disulfate-atom7" elementType="O" x2="-11639.0" y2="-10607.0"/> <atom id="Heparan-sulfate-3-N-disulfate-atom8" elementType="N" x2="-12950.0" y2="7602.0"/> <atom id="Heparan-sulfate-3-N-disulfate-atom9" elementType="O" x2="-25929.0" y2="14143.0"/> <atom id="Heparan-sulfate-3-N-disulfate-atom10" elementType="O" x2="-40218.0" y2="5893.0"/> <atom id="Heparan-sulfate-3-N-disulfate-atom11" elementType="C" x2="-38907.0" y2="-12316.0"/> <atom id="Heparan-sulfate-3-N-disulfate-atom12" elementType="O" x2="-46052.0" y2="-8191.0"/> <atom id="Heparan-sulfate-3-N-disulfate-atom13" elementType="R1" x2="-11639.0" y2="-18857.0"/> <atom id="Heparan-sulfate-3-N-disulfate-atom14" elementType="R2" x2="-40218.0" y2="14143.0"/> <atom id="Heparan-sulfate-3-N-disulfate-atom15" elementType="S" x2="-25929.0" y2="22393.0"/> <atom id="Heparan-sulfate-3-N-disulfate-atom16" elementType="O" x2="-25929.0" y2="30643.0" formalCharge="-1"/> <atom id="Heparan-sulfate-3-N-disulfate-atom17" elementType="O" x2="-17679.0" y2="22393.0"/> <atom id="Heparan-sulfate-3-N-disulfate-atom18" elementType="O" x2="-34179.0" y2="22393.0"/> <atom id="Heparan-sulfate-3-N-disulfate-atom19" elementType="S" x2="-4700.0" y2="7602.0"/> <atom id="Heparan-sulfate-3-N-disulfate-atom20" elementType="O" x2="3550.0" y2="7602.0" formalCharge="-1"/> <atom id="Heparan-sulfate-3-N-disulfate-atom21" elementType="O" x2="-4700.0" y2="-648.0"/> <atom id="Heparan-sulfate-3-N-disulfate-atom22" elementType="O" x2="-4700.0" y2="15852.0"/> </atomArray> <bondArray> <bond id="Heparan-sulfate-3-N-disulfate-bond1" atomRefs="Heparan-sulfate-3-N-disulfate-atom1 Heparan-sulfate-3-N-disulfate-atom2" order="1"/> <bond id="Heparan-sulfate-3-N-disulfate-bond2" atomRefs="Heparan-sulfate-3-N-disulfate-atom2 Heparan-sulfate-3-N-disulfate-atom3" order="1"/> <bond id="Heparan-sulfate-3-N-disulfate-bond3" atomRefs="Heparan-sulfate-3-N-disulfate-atom3 Heparan-sulfate-3-N-disulfate-atom4" order="1"/> <bond id="Heparan-sulfate-3-N-disulfate-bond4" atomRefs="Heparan-sulfate-3-N-disulfate-atom4 Heparan-sulfate-3-N-disulfate-atom5" order="1"/> <bond id="Heparan-sulfate-3-N-disulfate-bond5" atomRefs="Heparan-sulfate-3-N-disulfate-atom5 Heparan-sulfate-3-N-disulfate-atom6" order="1"/> <bond id="Heparan-sulfate-3-N-disulfate-bond6" atomRefs="Heparan-sulfate-3-N-disulfate-atom1 Heparan-sulfate-3-N-disulfate-atom6" order="1"/> <bond id="Heparan-sulfate-3-N-disulfate-bond7" atomRefs="Heparan-sulfate-3-N-disulfate-atom6 Heparan-sulfate-3-N-disulfate-atom7" order="1"/> <bond id="Heparan-sulfate-3-N-disulfate-bond8" atomRefs="Heparan-sulfate-3-N-disulfate-atom5 Heparan-sulfate-3-N-disulfate-atom8" order="1"/> <bond id="Heparan-sulfate-3-N-disulfate-bond9" atomRefs="Heparan-sulfate-3-N-disulfate-atom4 Heparan-sulfate-3-N-disulfate-atom9" order="1"/> <bond id="Heparan-sulfate-3-N-disulfate-bond10" atomRefs="Heparan-sulfate-3-N-disulfate-atom3 Heparan-sulfate-3-N-disulfate-atom10" order="1"/> <bond id="Heparan-sulfate-3-N-disulfate-bond11" atomRefs="Heparan-sulfate-3-N-disulfate-atom2 Heparan-sulfate-3-N-disulfate-atom11" order="1"/> <bond id="Heparan-sulfate-3-N-disulfate-bond12" atomRefs="Heparan-sulfate-3-N-disulfate-atom11 Heparan-sulfate-3-N-disulfate-atom12" order="1"/> <bond id="Heparan-sulfate-3-N-disulfate-bond13" atomRefs="Heparan-sulfate-3-N-disulfate-atom7 Heparan-sulfate-3-N-disulfate-atom13" order="1"/> <bond id="Heparan-sulfate-3-N-disulfate-bond14" atomRefs="Heparan-sulfate-3-N-disulfate-atom10 Heparan-sulfate-3-N-disulfate-atom14" order="1"/> <bond id="Heparan-sulfate-3-N-disulfate-bond15" atomRefs="Heparan-sulfate-3-N-disulfate-atom9 Heparan-sulfate-3-N-disulfate-atom15" order="1"/> <bond id="Heparan-sulfate-3-N-disulfate-bond16" atomRefs="Heparan-sulfate-3-N-disulfate-atom15 Heparan-sulfate-3-N-disulfate-atom16" order="1"/> <bond id="Heparan-sulfate-3-N-disulfate-bond17" atomRefs="Heparan-sulfate-3-N-disulfate-atom15 Heparan-sulfate-3-N-disulfate-atom17" order="2"/> <bond id="Heparan-sulfate-3-N-disulfate-bond18" atomRefs="Heparan-sulfate-3-N-disulfate-atom15 Heparan-sulfate-3-N-disulfate-atom18" order="2"/> <bond id="Heparan-sulfate-3-N-disulfate-bond19" atomRefs="Heparan-sulfate-3-N-disulfate-atom8 Heparan-sulfate-3-N-disulfate-atom19" order="1"/> <bond id="Heparan-sulfate-3-N-disulfate-bond20" atomRefs="Heparan-sulfate-3-N-disulfate-atom19 Heparan-sulfate-3-N-disulfate-atom20" order="1"/> <bond id="Heparan-sulfate-3-N-disulfate-bond21" atomRefs="Heparan-sulfate-3-N-disulfate-atom19 Heparan-sulfate-3-N-disulfate-atom21" order="2"/> <bond id="Heparan-sulfate-3-N-disulfate-bond22" atomRefs="Heparan-sulfate-3-N-disulfate-atom19 Heparan-sulfate-3-N-disulfate-atom22" order="2"/> </bondArray> <formula concise=""/> <string title="smiles">C(O)C1(C(O[R2])C(OS(=O)(=O)[O-])C(NS(=O)(=O)[O-])C(O[R1])O1)</string> </molecule> </cml>
biopax3:structureFormat	CML