Template:Chembox Identifiers/doc

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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 | ... }}.

This parameter list:
|Section1={{Chembox Identifiers
| Identifiers_ref =
<!-- indexlabeling-->
| 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
ChemSpider ID verified? If yes, type: {{chemspidercite}}
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
 StdInChI Key comment
------
InChI
 InChI comment
Other InChI
InChI Key
 InChI Key comment
Other InChI Key
------
UNII: Unique Ingredient Identifier, by FDA
 UNII comment
Other UNII

------DTXSID (CompTox; U.S. EPA)

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










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


Subtemplates used[edit source]

(this list may be outdated/incomplete. {{Chembox Identifiers}} is defining).
Indexed parameters
for indexed parameters: CASNo, CASNo1, CASNo2, CASNo3, CASNo4, CASNo5
and having: CASNo_Comment, CASNo1_Comment, CASNo2_Comment, CASNo3_Comment, CASNo4_Comment, CASNo5_Comment
Also, once: CASNoOther (any text, shown unedited)

Similarly:

{{Chembox ChEBI/format}}
{{Chembox ChEMBL/format}}
{{Chembox ChemSpiderID/format}}
{{Chembox DrugBank/format}}
{{Chembox InChI/format}}
{{Chembox IUPHAR ligand/format}}
{{Chembox Jmol/format}}
{{Chembox KEGG/format}}
{{Chembox PubChem/format}}
{{Chembox SMILES/format}}
{{Chembox UNII/format}}
Non-indexed parameters

Bot maintained 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 CheMoBot and {{cascite}} documentation.

Tracking category[edit source]

See also[edit source]

References