R6 Ballot (2nd Draft)

Publish-box (todo)

Example SubstanceProtein/example (XML)

Biomedical Research and Regulation Work GroupMaturity Level: N/AStandards Status: InformativeCompartments: No defined compartments

Raw XML (canonical form + also see XML Format Specification)

Example of substanceprotein (id = "example")

<?xml version="1.0" encoding="UTF-8"?>

<!--  numberOfMoieties value="2"/>
   <identifier>
      <system value="http://substanceidOID"/>
      <value value="POYFG4531Y (Artificial ID)"/>
   </identifier>
   <substanceType>
      <coding>
         <system value="http://substancetypeOID"/>
         <code value="Chemical"/>
      </coding>
   </substanceType>
   <moiety>
      <moietyRole>
         <coding>
            <system value="http://moietyroleOID"/>
            <code value="SaltMolecule"/>
         </coding>
      </moietyRole>
      <moietyId>
         <system value="http://moietyidOID"/>
         <value value="HJFGTE8954 (Artificial ID); [QTT17582CB (UNII)]"/>
      </moietyId>
      <moietyName value="Hydrochloric acid"/>
      <stereochemistry>
         <coding>
            <system value="http://stereochemistryOID"/>
            <code value="Achiral"/>
         </coding>
      </stereochemistry>
      <opticalActivity>
         <coding>
            <system value="http://opticalactivityOID"/>
            <code value="N/A"/>
         </coding>
      </opticalActivity>
      <molecularFormula value="HCl"/>
      <amount>
         <amountType>
            <coding>
               <system value="http://amounttypeOID"/>
               <code value="MoleRatiotoParent"/>
            </coding>
         </amountType>
         <average>
            <value value="1"/>
            <unit value="1"/>
         </average>
         <nonNumericValue value="Mole Ratio to Ponatinib"/>
      </amount>
   </moiety>
   <moiety>
      <moietyRole>
         <coding>
            <system value="http://moietyroleOID"/>
            <code value="Parentsubstance"/>
         </coding>
      </moietyRole>
      <moietyId>
         <system value="http://moietyidOID"/>
         <value value="PONG785632B (Artificial ID); [QTT17582CB (UNII)]"/>
      </moietyId>
      <moietyName value="Ponatinib"/>
      <stereochemistry>
         <coding>
            <system value="http://stereochemistryOID"/>
            <code value="Achiral"/>
         </coding>
      </stereochemistry>
      <opticalActivity>
         <coding>
            <system value="http://opticalactivityOID"/>
            <code value="N/A"/>
         </coding>
      </opticalActivity>
      <molecularFormula value="C29H27F3N6O"/>
      <amount>
         <amountType>
            <coding>
               <system value="http://amounttypeOID"/>
               <code value="MoleRatiotoAcid"/>
            </coding>
         </amountType>
         <average>
            <value value="1"/>
            <unit value="1"/>
         </average>
         <nonNumericValue value="Mol Ratio Ponatinib/ Ponatinib hydrochloride (1:1)"/>
      </amount>
   </moiety>
   <referenceInformation>
      <substanceClassification>
         <domain>
            <coding>
               <system value="http://domainOID"/>
               <code value="HumanPharmaceutical"/>
            </coding>
         </domain>
         <substanceClassificationCode value="L01XE24"/>
         <substanceClassificationType value="Ponatinib"/>
         <referenceSource>
            <publicDomain value="true"/>
            <referenceSourceType>
               <coding>
                  <system value="http://referencesourcetypeOID"/>
                  <code value="WHOCollaboratingCentreforDrugStatisticsmethodology(WHOCC)"/>
               </coding>
            </referenceSourceType>
            <referenceSourceClass>
               <coding>
                  <system value="http://referencesourceclassOID"/>
                  <code value="Web"/>
               </coding>
            </referenceSourceClass>
            <referenceSourceCitation value="http://www.whocc.no/atc_ddd_index/?code=L01XE24
 "/>
         </referenceSource>
      </substanceClassification>
      <substanceRelationship>
         <relatedSubstanceId>
            <system value="http://relatedsubstanceidOID"/>
            <value value="GHF26754YQ (Artificial ID), [4340891KFS (UNII)]"/>
         </relatedSubstanceId>
         <relatedSubstanceName value="Ponatinib"/>
         <relationship>
            <coding>
               <system value="http://relationshipOID"/>
               <code value="Parentsubstancetosalt"/>
            </coding>
         </relationship>
         <relationshipType>
            <coding>
               <system value="http://relationshiptypeOID"/>
               <code value="Ionic"/>
            </coding>
         </relationshipType>
         <isDefining value="true"/>
         <amount>
            <amountType>
               <coding>
                  <system value="http://amounttypeOID"/>
                  <code value="Weightpercenttosalt"/>
               </coding>
            </amountType>
            <average>
               <value value="93.6"/>
               <unit value="1"/>
            </average>
            <unit>
               <coding>
                  <system value="http://unitOID"/>
                  <code value="Weightpercent"/>
               </coding>
            </unit>
            <nonNumericValue value="Equivalent factor: 0.936"/>
         </amount>
      </substanceRelationship>
   </referenceInformation>
   <referenceSource>
      <publicDomain value="false"/>
      <referenceSourceType>
         <coding>
            <system value="http://referencesourcetypeOID"/>
            <code value="MarketingAuthorizationApplication"/>
         </coding>
      </referenceSourceType>
      <referenceSourceClass>
         <coding>
            <system value="http://referencesourceclassOID"/>
            <code value="Regulatorysubmission"/>
         </coding>
      </referenceSourceClass>
      <referenceSourceId value="33333 (Artificial ID)"/>
      <referenceSourceDocument>
         <document>
            <contentType value="text/plain"/>
            <data value="U3lteXggICAwNjA5MTQyMjExMkQgMSAgIDEuMDAwMDAgICAgIDAuMDAwMDAgICAgIDAg
XG4gNDAgNDMgIDAgICAgIDAgIDAgICAgICAgICAgICA5OTkgVjIwMDBcbiAgIC0yLjIzNDAgICAtMC4xNjYxICAgIDAuMD
AwMCBOICAgMCAgMCAgMCAgMCAgMCAgMCAgICAgICAgICAgMCAgMCAgMA=="/>
         </document>
         <referenceSourceDocumentType>
            <coding>
               <system value="http://referencesourcedocumenttypeOID"/>
               <code value="Textfile"/>
            </coding>
         </referenceSourceDocumentType>
      </referenceSourceDocument>
   </referenceSource>
   <structure>
      <stereochemistry>
         <coding>
            <system value="http://stereochemistryOID"/>
            <code value="Achiral"/>
         </coding>
      </stereochemistry>
      <opticalActivity>
         <coding>
            <system value="http://opticalactivityOID"/>
            <code value="N/A"/>
         </coding>
      </opticalActivity>
      <molecularFormula value="C29H28F3ClN6O"/>
      <molecularFormulaByMoiety value="C29H27F3N6O.HCl"/>
      <molecularWeight>
         <molecularWeightMethod>
            <coding>
               <system value="http://molecularweightmethodOID"/>
               <code value="Calculated"/>
            </coding>
         </molecularWeightMethod>
         <molecularWeightType>
            <coding>
               <system value="http://molecularweighttypeOID"/>
               <code value="Numberaverage"/>
            </coding>
         </molecularWeightType>
         <amount>
            <amountType>
               <coding>
                  <system value="http://amounttypeOID"/>
                  <code value="Exact"/>
               </coding>
            </amountType>
            <average>
               <value value="569.02"/>
               <unit value="1"/>
            </average>
            <unit>
               <coding>
                  <system value="http://unitOID"/>
                  <code value="g/mol"/>
               </coding>
            </unit>
         </amount>
      </molecularWeight>
      <referenceSource>
         <publicDomain value="true"/>
         <referenceSourceType>
            <coding>
               <system value="http://referencesourcetypeOID"/>
               <code value="ChemIDplus"/>
            </coding>
         </referenceSourceType>
         <referenceSourceClass>
            <coding>
               <system value="http://referencesourceclassOID"/>
               <code value="PublicDatabase"/>
            </coding>
         </referenceSourceClass>
         <referenceSourceCitation value="http://chem.sis.nlm.nih.gov/chemidplus/unii/96R6PU3D
8J "/>
      </referenceSource>
      <structuralRepresentation>
         <type>
            <coding>
               <system value="http://structuralrepresentationtypeOID"/>
               <code value="Full"/>
            </coding>
         </type>
         <representation value="Figure B.40"/>
      </structuralRepresentation>
      <structuralRepresentation>
         <type>
            <coding>
               <system value="http://structuralrepresentationtypeOID"/>
               <code value="InChI"/>
            </coding>
         </type>
         <representation value="InChI=1S/C29H27F3N6O.ClH/c1-20-5-6-22(16-21(20)8-10-25-18-33-
27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37;/h3-7,
9,11,16-18H,12-15,19H2,1-2H3,(H,35,39);1H"/>
      </structuralRepresentation>
      <structuralRepresentation>
         <type>
            <coding>
               <system value="http://structuralrepresentationtypeOID"/>
               <code value="SMILES"/>
            </coding>
         </type>
         <representation value="Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(C
C5)C.Cl"/>
      </structuralRepresentation>
      <structuralRepresentation>
         <type>
            <coding>
               <system value="http://structuralrepresentationtypeOID"/>
               <code value="MOL"/>
            </coding>
         </type>
         <attachment>
            <contentType value="text/plain"/>
            <data value="U3lteXggICAwNjA5MTQyMjExMkQgMSAgIDEuMDAwMDAgICAgIDAuMDAwMDAgICAgIDAg
XG4gNDAgNDMgIDAgICAgIDAgIDAgICAgICAgICAgICA5OTkgVjIwMDBcbiAgIC0yLjIzNDAgICAtMC4xNjYxICAgIDAuMD
AwMCBOICAgMCAgMCAgMCAgMCAgMCAgMCAgICAgICAgICAgMCAgMCAgMA=="/>
         </attachment>
      </structuralRepresentation>
   </structure>
   <substanceCode>
      <code value="1114544-31-8"/>
      <codeSystemStatus>
         <coding>
            <system value="http://1.1.149"/>
            <code value="Active"/>
         </coding>
      </codeSystemStatus>
   </substanceCode>
   <substanceCode>
      <code value="96R6PU3D8J"/>
      <codeSystemStatus>
         <coding>
            <system value="http://1.1.150"/>
            <code value="Active"/>
         </coding>
      </codeSystemStatus>
   </substanceCode>
   <substanceName>
      <substanceName value="Ponatinib hydrochloride"/>
      <substanceNameType>
         <coding>
            <system value="http://substancenametypeOID"/>
            <code value="Official"/>
         </coding>
      </substanceNameType>
      <language>
         <coding>
            <system value="http://languageOID"/>
            <code value="en"/>
         </coding>
      </language>
      <substanceNameDomain>
         <coding>
            <system value="http://substancenamedomainOID"/>
            <code value="Drug"/>
         </coding>
      </substanceNameDomain>
      <jurisdiction>
         <coding>
            <system value="http://jurisdictionOID"/>
            <code value="EU,US"/>
         </coding>
      </jurisdiction>
      <officialName>
         <officialNameType>
            <coding>
               <system value="http://officialnametypeOID"/>
               <code value="USAN"/>
            </coding>
         </officialNameType>
         <officialNameStatus>
            <coding>
               <system value="http://officialnamestatusOID"/>
               <code value="Current"/>
            </coding>
         </officialNameStatus>
      </officialName>
      <referenceSource>
         <publicDomain value="true"/>
         <referenceSourceType>
            <coding>
               <system value="http://referencesourcetypeOID"/>
               <code value="Martindale"/>
            </coding>
         </referenceSourceType>
         <referenceSourceClass>
            <coding>
               <system value="http://referencesourceclassOID"/>
               <code value="Officialnamesource"/>
            </coding>
         </referenceSourceClass>
         <referenceSourceCitation value="Martindale The complete drug reference"/>
         <referenceSourceUrl value="https://www.medicinescomplete.com/mc/martindale/current/m
s-28485-s.htm?q=Ponatinib%20hydrochloride&amp;t=search&amp;ss=text&amp;tot=12&amp;p=1#_hit"/>
         <referenceSourceDocument>
            <publicDomain value="true"/>
            <referenceSourceDocumentType>
               <coding>
                  <system value="http://referencesourcedocumenttypeOID"/>
                  <code value="Journalarticle"/>
               </coding>
            </referenceSourceDocumentType>
         </referenceSourceDocument>
      </referenceSource>
   </substanceName>
   <substanceName>
      <substanceName value="3-(2-(Imidazo(1,2-b)pyridazin-3-yl)ethynyl)-4-methyl-N-(4-((4-met
hylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide monohydrochloride"/>
      <substanceNameType>
         <coding>
            <system value="http://substancenametypeOID"/>
            <code value="Systematic"/>
         </coding>
      </substanceNameType>
      <language>
         <coding>
            <system value="http://languageOID"/>
            <code value="en"/>
         </coding>
      </language>
      <referenceSource>
         <publicDomain value="true"/>
         <referenceSourceType>
            <coding>
               <system value="http://referencesourcetypeOID"/>
               <code value="ChemIDplus"/>
            </coding>
         </referenceSourceType>
         <referenceSourceClass>
            <coding>
               <system value="http://referencesourceclassOID"/>
               <code value="PublicDatabase"/>
            </coding>
         </referenceSourceClass>
         <referenceSourceCitation value="http://chem.sis.nlm.nih.gov/chemidplus/unii/96R6PU3D
8J "/>
      </referenceSource>
   </substanceName>
   <substanceName>
      <substanceName value="Benzamide, 3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[
4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-,hydrochloride (1:1)"/>
      <substanceNameType>
         <coding>
            <system value="http://substancenametypeOID"/>
            <code value="OtherName"/>
         </coding>
      </substanceNameType>
      <language>
         <coding>
            <system value="http://languageOID"/>
            <code value="en"/>
         </coding>
      </language>
      <referenceSource>
         <publicDomain value="true"/>
         <referenceSourceType>
            <coding>
               <system value="http://referencesourcetypeOID"/>
               <code value="CAS"/>
            </coding>
         </referenceSourceType>
         <referenceSourceClass>
            <coding>
               <system value="http://referencesourceclassOID"/>
               <code value="Othernamesource"/>
            </coding>
         </referenceSourceClass>
         <referenceSourceCitation value="CAS Registry Name"/>
      </referenceSource>
   </substanceName>
   <substanceName>
      <substanceName value="XYWZ123"/>
      <substanceNameType>
         <coding>
            <system value="http://substancenametypeOID"/>
            <code value="CompanyCode"/>
         </coding>
      </substanceNameType>
      <language>
         <coding>
            <system value="http://languageOID"/>
            <code value="en"/>
         </coding>
      </language>
      <referenceSource>
         <publicDomain value="false"/>
         <referenceSourceType>
            <coding>
               <system value="http://referencesourcetypeOID"/>
               <code value="MarketingAuthorizationApplication"/>
            </coding>
         </referenceSourceType>
         <referenceSourceClass>
            <coding>
               <system value="http://referencesourceclassOID"/>
               <code value="Regulatorysubmission"/>
            </coding>
         </referenceSourceClass>
         <referenceSourceId value="CBG345267C (Artificial ID)"/>
      </referenceSource>
   </substanceName  --><SubstanceProtein xmlns="http://hl7.org/fhir">
  <id value="example"/> 
</SubstanceProtein>

Usage note: every effort has been made to ensure that the examples are correct and useful, but they are not a normative part of the specification.