Template:Chembox Identifiers/doc

From Ikwipedia

Indexed compounds[edit source]

index example
Identifiers
  • Compounds
  • lbl: comment
  • lbl1: comment1
  • lbl2: comment2
  • lbl3: comment3
  • lbl4: comment4
  • lbl5: comment5
| index_label    = 
| index1_label   =
| index2_label   =
| index3_label   = 
| index4_label   = 
| index5_label   =

| index_comment  =
| index1_comment =
| index2_comment =
| index3_comment =
| index4_comment =
| index5_comment =

CASNo
 
ChEBI
 
ChEMBL
 
ChemSpiderID
 
DrugBank
 
IUPHAR_ligand
 
Jmol
 
KEGG
 
PubChem
 
UNII
 
InChI, InChIKey
 
SMILES
 
DTXSID
 
3DMet
 
EC_number
 
RTECS

{{{CASNo|}}} {{{CASNo1|}}} {{{CASNo2|}}}
   {{{CASNo3|}}} {{{CASNo4|}}} {{{CASNo5|}}}
{{{ChEBI|}}} {{{ChEBI1|}}} {{{ChEBI2|}}}
   {{{ChEBI3|}}} {{{ChEBI4|}}} {{{ChEBI5|}}}
{{{ChEMBL|}}} {{{ChEMBL1|}}} {{{ChEMBL2|}}}
   {{{ChEMBL3|}}} {{{ChEMBL4|}}} {{{ChEMBL5|}}}
{{{ChemSpiderID|}}} {{{ChemSpiderID1|}}} {{{ChemSpiderID2|}}}
   {{{ChemSpiderID3|}}} {{{ChemSpiderID4|}}} {{{ChemSpiderID5|}}}
{{{DrugBank|}}} {{{DrugBank1|}}} {{{DrugBank2|}}}
   {{{DrugBank3|}}} {{{DrugBank4|}}} {{{DrugBank5|}}}
{{{IUPHAR_ligand|}}} {{{IUPHAR_ligand1|}}} {{{IUPHAR_ligand2|}}}
   {{{IUPHAR_ligand3|}}} {{{IUPHAR_ligand4|}}} {{{IUPHAR_ligand5|}}}
{{{Jmol|}}} {{{Jmol1|}}} {{{Jmol2|}}}
   {{{Jmol3|}}} {{{Jmol4|}}} {{{Jmol5|}}}
{{{KEGG|}}} {{{KEGG1|}}} {{{KEGG2|}}}
   {{{KEGG3|}}} {{{KEGG4|}}} {{{KEGG5|}}}
{{{PubChem|}}} {{{PubChem1|}}} {{{PubChem2|}}}
   {{{PubChem3|}}} {{{PubChem4|}}} {{{PubChem5|}}}
{{{UNII|}}} {{{UNII1|}}} {{{UNII2|}}} {{{UNII3|}}}
   {{{UNII4|}}} {{{UNII5|}}}
{{{InChI|}}}{{{InIKey|}}} {{{InChI1|}}}{{{InIKey1|}}} {{{InChI2|}}}{{{InChIKey2|}}}
   {{{InChI3|}}}{{{InChIKey3|}}} {{{InChI4|}}}{{{InChIKey4|}}} {{{InChI5|}}}{{{InChIKey5|}}}
{{{SMILES|}}} {{{SMILES1|}}} {{{SMILES2|}}}
   {{{SMILES3|}}} {{{SMILES4|}}} {{{SMILES5|}}}
{{{DTXSID|}}} {{{DTXSID1|}}} {{{DTXSID2|}}}
   {{{DTXSID3|}}} {{{DTXSID4|}}} {{{DTXSID5|}}}
{{{3DMet|}}} {{{3DMet1|}}} {{{3DMet2|}}}
   {{{3DMet3|}}} {{{3DMet4|}}} {{{3DMet5|}}}
{{{EC_number|}}} {{{EC_number1|}}} {{{EC_number2|}}}
   {{{EC_number3|}}} {{{EC_number4|}}} {{{EC_number5|}}}
{{{RTECS|}}} {{{RTECS1|}}} {{{RTECS2|}}}
   {{{RTECS3|}}} {{{RTECS4|}}} {{{RTECS5|}}}

Usage[edit source]

This box can be used as a module in the {{chembox}}. Copy the left column into an existing chembox, before the first section, and give the section a unique number 1–9. The subtemplate calling should look like | Section1={{Chembox Identifiers | ... }}. 

|Section1={{Chembox Identifiers
| Identifiers_ref =
<!--index labeling-->
| index_label = 
| index1_label = 
| indexlist_caption = 
| index_comment = 
| index1_comment = 
<!--CASNo, +ix 1–5-->
| CASNo = 
| CASNo_Comment = 
| CASNo1 = 
| CASNo1_Comment = 
| CASNoOther = 
<!--ChEBI, +ix 1–5-->
| ChEBI = 
| ChEBI_Comment = 
| ChEBI1 = 
| ChEBI1_Comment =
| ChEBIOther = 
<!--ChEMBL, +ix 1–5-->
| ChEMBL = 
| ChEMBL_Comment = 
| ChEMBL1 = 
| ChEMBL1_Comment =
| ChEMBLOther = 
<!--ChemSpiderID, +ix 1–5-->
| ChemSpiderID = 
| ChemSpiderID_Comment = 
| ChemSpiderID1 = 
| ChemSpiderID1_Comment = 
| ChemSpiderIDOther = 
<!--DrugBank, +ix 1–5-->
| DrugBank = 
| DrugBank_Comment = 
| DrugBank1 = 
| DrugBank1_Comment = 
| DrugBankOther = 
<!--IUPHAR_ligand, +ix 1–5-->
| IUPHAR_ligand = 
| IUPHAR_ligand_Comment = 
| IUPHAR_ligand1 = 
| IUPHAR_ligand1_Comment =
| IUPHAR_ligand_Other = 
<!--KEGG, +ix 1–5-->
| KEGG =
| KEGG_Comment = 
| KEGG1 = 
| KEGG1_Comment =
| KEGGOther = 
<!--PubChem, +ix 1–5-->
| PubChem = 
| PubChem_Comment = 
| PubChem1 = 
| PubChem1_Comment = 
| PubChemOther = 
<!--SMILES, Jmol 1–5-->
| SMILES = 
| SMILES_Comment = 
| SMILES1 = 
| SMILES1_Comment =
| SMILESOther =
| Jmol =
| Jmol1 = 
<!--StdInChI-->
| StdInChI = 
| StdInChI_Comment = 
| StdInChIKey = 
<!--InChI, InChIKey: index 1–5-->
| InChI = 
| InChI_Comment = 
| InChIKey = 
| InChI1 = 
| InChI1_Comment = 
| InChIKey1 =
| InChIOther = 
<!--UNII, +ix 1–5-->
| UNII = 
| UNII_Comment = 
| UNII1 = 
| UNII1_Comment = 
| UNIIOther =
<!--DTXSID (CompTox), +ix 1–5-->
| DTXSID =
| DTXSID1 ... DTXSID5 =
| DTXSIDOther =
<!--3DMet, +ix 1–5-->
| 3DMet = 
<!--EC_number, +ix 1–5-->
| EC_number = 
| EC_number1 ... EC_number5 = 
| EC_number_Comment = 
| EINECS =
<!--RTECS, +ix 1–5-->
| RTECS =
| RTECS1 ... RTECS5 =
| RTECSOther =
<!--non-index parameters-->
| Abbreviations = 
| Beilstein = 
| Gmelin = 
| MeSHName =
| UNNumber =
}}

{{Chembox Identifiers}}







------
CAS registry number, links to http://www.commonchemistry.org/
 CAS registry number comment


Other CAS RN (unformatted)
------
ChEBI, links to http://www.ebi.ac.uk/chebi/




------
ChEMBL




------
ChemSpider ID, links to http://www.chemspider.com/
 ChemSpider ID comment


Other ChemSpider ID
------
DrugBank
 comment


Other DrugBank
------
IUPHAR/BPS
 comment


Other IUPHAR
------
KEGG entry, links to http://www.genome.jp/kegg/




------
PubChem compound ID, links to https://pubchem.ncbi.nlm.nih.gov/
 PubChem compound ID comment


Other PubChem compound ID
------
SMILES
 SMILES comment


Other SMILES


------
StdInChI
 StdInChI comment
StdInChI Key
------
InChI
 InChI comment
InChI Key



Other InChI
------
UNII: Unique Ingredient Identifier, by FDA
 UNII comment


Other UNII
------
DTXSID: CompTox Chemistry Dashboard (default: Property P3117 from Wikidata)













------
Abbreviations
Beilstein reference
Gmelin ID
MeSH heading, links to https://www.nlm.nih.gov/mesh/
UN number

WP:CHEMVALID validation[edit source]

Seven identifiers are bot-checked for changes (and all their 1–5 indexed values). A check marker like {{cascite}} is added to the infobox. For example, based on |CASNo=... the bot might add:

|CASNo_Ref = {{cascite|correct}}

See WP:CHEMVALID and the {{cascite}}-set documentation.

Tracking category[edit source]

TemplateData[edit source]

See also[edit source]

Chembox

References

These references will appear in the article, but this list appears only on this page.


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