Difference between revisions of "Template:Chembox Identifiers"
imported>DePiep (Chembox: add parameter sets "index_label" and "index_comment", listformatting, tracking, tech improvements. See talk) |
imported>DePiep (Chembox: add parameter sets "index_label" and "index_comment", listformatting, tracking, tech improvements. See talk /rm /sandboxes) |
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| Line 1: | Line 1: | ||
<!-- | <!-- | ||
| − | |||
| − | |||
2017-03-07: section always shows when called. Could be header without data rows; is tracked. | 2017-03-07: section always shows when called. Could be header without data rows; is tracked. | ||
----- HEADER ----- | ----- HEADER ----- | ||
| − | -->{{Chembox headerbar | + | -->{{Chembox headerbar |
|header=Identifiers | |header=Identifiers | ||
|ref={{{Identifiers_ref|}}}<!-- | |ref={{{Identifiers_ref|}}}<!-- | ||
| Line 11: | Line 9: | ||
|addTestCategories= | |addTestCategories= | ||
--> | --> | ||
| − | |addMainCategories={{Chembox parametercheck | + | |addMainCategories={{Chembox parametercheck |
|_countCASNo={{#invoke:ParameterCount |main|pattern1=^CASNo%d?$}} | |_countCASNo={{#invoke:ParameterCount |main|pattern1=^CASNo%d?$}} | ||
|_countPubChemCID={{#invoke:ParameterCount|main|pattern1=^PubChem%d?$}}<!-- is CID --> | |_countPubChemCID={{#invoke:ParameterCount|main|pattern1=^PubChem%d?$}}<!-- is CID --> | ||
| Line 81: | Line 79: | ||
CAS NUMBER CASNO WD:P231----- | CAS NUMBER CASNO WD:P231----- | ||
--> | --> | ||
| − | {{Chembox CASNo | + | {{Chembox CASNo |
|data={{unbulleted list | |data={{unbulleted list | ||
| − | |1={{Chembox CASNo/format | + | |1={{Chembox CASNo/format |index=0 |localValue={{{CASNo|}}} |ix_label={{{index_label|}}} |comment={{{CASNo_Comment|}}} |botref={{{CASNo_Ref|}}} }} |
| − | |11={{Chembox CASNo/format | + | |11={{Chembox CASNo/format |index=1 |localValue={{{CASNo1|}}} |ix_label={{{index1_label|}}} |comment={{{CASNo1_Comment|}}} |botref={{{CASNo1_Ref|}}} }} |
| − | |12={{Chembox CASNo/format | + | |12={{Chembox CASNo/format |index=2 |localValue={{{CASNo2|}}} |ix_label={{{index2_label|}}} |comment={{{CASNo2_Comment|}}} |botref={{{CASNo2_Ref|}}} }} |
| − | |13={{Chembox CASNo/format | + | |13={{Chembox CASNo/format |index=3 |localValue={{{CASNo3|}}} |ix_label={{{index3_label|}}} |comment={{{CASNo3_Comment|}}} |botref={{{CASNo3_Ref|}}} }} |
| − | |14={{Chembox CASNo/format | + | |14={{Chembox CASNo/format |index=4 |localValue={{{CASNo4|}}} |ix_label={{{index4_label|}}} |comment={{{CASNo4_Comment|}}} |botref={{{CASNo4_Ref|}}} }} |
| − | |15={{Chembox CASNo/format | + | |15={{Chembox CASNo/format |index=5 |localValue={{{CASNo5|}}} |ix_label={{{index5_label|}}} |comment={{{CASNo5_Comment|}}} |botref={{{CASNo5_Ref|}}} }} |
|16={{{CASNoOther|}}} }}}}<!-- | |16={{{CASNoOther|}}} }}}}<!-- | ||
----- JMOL 3D image (links created from the SMILES value) --> | ----- JMOL 3D image (links created from the SMILES value) --> | ||
| − | {{Chembox Jmol | + | {{Chembox Jmol |
|data={{unbulleted list | |data={{unbulleted list | ||
| − | |1 ={{Chembox Jmol/format | + | |1 ={{Chembox Jmol/format |localValue= {{{Jmol|{{{SMILES|}}}}}} |
|ix_label={{{index_label|}}} {{{SMILES_Comment |}}} }} | |ix_label={{{index_label|}}} {{{SMILES_Comment |}}} }} | ||
| − | |11={{Chembox Jmol/format | + | |11={{Chembox Jmol/format |localValue={{{Jmol1|{{{SMILES1|}}}}}} |
|ix_label={{{index1_label|}}} {{{SMILES1_Comment|}}} }} | |ix_label={{{index1_label|}}} {{{SMILES1_Comment|}}} }} | ||
| − | |12={{Chembox Jmol/format | + | |12={{Chembox Jmol/format |localValue={{{Jmol2|{{{SMILES2|}}}}}} |
|ix_label={{{index2_label|}}} {{{SMILES2_Comment|}}} }} | |ix_label={{{index2_label|}}} {{{SMILES2_Comment|}}} }} | ||
| − | |13={{Chembox Jmol/format | + | |13={{Chembox Jmol/format |localValue={{{Jmol3|{{{SMILES3|}}}}}} |
|ix_label={{{index3_label|}}} {{{SMILES3_Comment|}}} }} | |ix_label={{{index3_label|}}} {{{SMILES3_Comment|}}} }} | ||
| − | |14={{Chembox Jmol/format | + | |14={{Chembox Jmol/format |localValue={{{Jmol4|{{{SMILES4|}}}}}} |
|ix_label={{{index4_label|}}} {{{SMILES4_Comment|}}} }} | |ix_label={{{index4_label|}}} {{{SMILES4_Comment|}}} }} | ||
| − | |15={{Chembox Jmol/format | + | |15={{Chembox Jmol/format |localValue={{{Jmol5|{{{SMILES5|}}}}}} |
|ix_label={{{index5_label|}}} {{{SMILES5_Comment|}}} }} }}}}<!-- | |ix_label={{{index5_label|}}} {{{SMILES5_Comment|}}} }} }}}}<!-- | ||
| Line 115: | Line 113: | ||
CHEBI ----- --> | CHEBI ----- --> | ||
| − | {{Chembox ChEBI | + | {{Chembox ChEBI |
|data={{unbulleted list | |data={{unbulleted list | ||
| − | |1={{Chembox ChEBI/format | + | |1={{Chembox ChEBI/format |localValue={{{ChEBI|}}} |ix_label={{{index_label|}}} |comment={{{ChEBI_Comment|}}} |botref={{{ChEBI_Ref|}}}}} |
| − | |11={{Chembox ChEBI/format | + | |11={{Chembox ChEBI/format |localValue={{{ChEBI1|}}} |ix_label={{{index1_label|}}} |comment={{{ChEBI1_Comment|}}} |botref={{{ChEBI1_Ref|}}} }} |
| − | |12={{Chembox ChEBI/format | + | |12={{Chembox ChEBI/format |localValue={{{ChEBI2|}}} |ix_label={{{index2_label|}}} |comment={{{ChEBI2_Comment|}}} |botref={{{ChEBI2_Ref|}}} }} |
| − | |13={{Chembox ChEBI/format | + | |13={{Chembox ChEBI/format |localValue={{{ChEBI3|}}} |ix_label={{{index3_label|}}} |comment={{{ChEBI3_Comment|}}} |botref={{{ChEBI3_Ref|}}} }} |
| − | |14={{Chembox ChEBI/format | + | |14={{Chembox ChEBI/format |localValue={{{ChEBI4|}}} |ix_label={{{index4_label|}}} |comment={{{ChEBI4_Comment|}}} |botref={{{ChEBI4_Ref|}}} }} |
| − | |15={{Chembox ChEBI/format | + | |15={{Chembox ChEBI/format |localValue={{{ChEBI5|}}} |ix_label={{{index5_label|}}} |comment={{{ChEBI5_Comment|}}} |botref={{{ChEBI5_Ref|}}} }} |
|16={{{ChEBIOther|}}} }}}}<!-- | |16={{{ChEBIOther|}}} }}}}<!-- | ||
CHEMBL ----- --> | CHEMBL ----- --> | ||
| − | {{Chembox ChEMBL | + | {{Chembox ChEMBL |
|data={{unbulleted list | |data={{unbulleted list | ||
| − | |1={{Chembox ChEMBL/format | + | |1={{Chembox ChEMBL/format |localValue={{{ChEMBL|}}} |ix_label={{{index_label|}}} |comment={{{ChEMBL_Comment|}}} |botref={{{ChEMBL_Ref|}}} }} |
| − | |11={{Chembox ChEMBL/format | + | |11={{Chembox ChEMBL/format |localValue={{{ChEMBL1|}}} |ix_label={{{index1_label|}}} |comment={{{ChEMBL1_Comment|}}} |botref={{{ChEMBL1_Ref|}}} }} |
| − | |12={{Chembox ChEMBL/format | + | |12={{Chembox ChEMBL/format |localValue={{{ChEMBL2|}}} |ix_label={{{index2_label|}}} |comment={{{ChEMBL2_Comment|}}} |botref={{{ChEMBL2_Ref|}}} }} |
| − | |13={{Chembox ChEMBL/format | + | |13={{Chembox ChEMBL/format |localValue={{{ChEMBL3|}}} |ix_label={{{index3_label|}}} |comment={{{ChEMBL3_Comment|}}} |botref={{{ChEMBL3_Ref|}}} }} |
| − | |14={{Chembox ChEMBL/format | + | |14={{Chembox ChEMBL/format |localValue={{{ChEMBL4|}}} |ix_label={{{index4_label|}}} |comment={{{ChEMBL4_Comment|}}} |botref={{{ChEMBL4_Ref|}}} }} |
| − | |15={{Chembox ChEMBL/format | + | |15={{Chembox ChEMBL/format |localValue={{{ChEMBL5|}}} |ix_label={{{index5_label|}}} |comment={{{ChEMBL5_Comment|}}} |botref={{{ChEMBL5_Ref|}}} }} |
|16={{{ChEMBLOther|}}} }}}}<!-- | |16={{{ChEMBLOther|}}} }}}}<!-- | ||
CHEMSPIDER ID ChemSpiderID ----- | CHEMSPIDER ID ChemSpiderID ----- | ||
value =[Nn]one is accepted, hidden, uncategorised --> | value =[Nn]one is accepted, hidden, uncategorised --> | ||
| − | {{Chembox ChemSpiderID | + | {{Chembox ChemSpiderID |
|data={{unbulleted list | |data={{unbulleted list | ||
| − | |1={{Chembox ChemSpiderID/format | + | |1={{Chembox ChemSpiderID/format |localValue={{{ChemSpiderID|}}} |ix_label={{{index_label|}}} |comment={{{ChemSpiderID_Comment|}}} |botref={{{ChemSpiderID_Ref|}}} }} |
| − | |11={{Chembox ChemSpiderID/format | + | |11={{Chembox ChemSpiderID/format |localValue={{{ChemSpiderID1|}}} |ix_label={{{index1_label|}}} |comment={{{ChemSpiderID1_Comment|}}} |botref={{{ChemSpiderID1_Ref|}}} }} |
| − | |12={{Chembox ChemSpiderID/format | + | |12={{Chembox ChemSpiderID/format |localValue={{{ChemSpiderID2|}}} |ix_label={{{index2_label|}}}|comment={{{ChemSpiderID2_Comment|}}} |botref={{{ChemSpiderID2_Ref|}}} }} |
| − | |13={{Chembox ChemSpiderID/format | + | |13={{Chembox ChemSpiderID/format |localValue={{{ChemSpiderID3|}}} |ix_label={{{index3_label|}}}|comment={{{ChemSpiderID3_Comment|}}} |botref={{{ChemSpiderID3_Ref|}}} }} |
| − | |14={{Chembox ChemSpiderID/format | + | |14={{Chembox ChemSpiderID/format |localValue={{{ChemSpiderID4|}}} |ix_label={{{index4_label|}}}|comment={{{ChemSpiderID4_Comment|}}} |botref={{{ChemSpiderID4_Ref|}}} }} |
| − | |15={{Chembox ChemSpiderID/format | + | |15={{Chembox ChemSpiderID/format |localValue={{{ChemSpiderID5|}}} |ix_label={{{index5_label|}}}|comment={{{ChemSpiderID5_Comment|}}} |botref={{{ChemSpiderID5_Ref|}}} }} |
|16={{{ChemSpiderIDOther|}}} }}}}<!-- | |16={{{ChemSpiderIDOther|}}} }}}}<!-- | ||
DRUGBANK ----- --> | DRUGBANK ----- --> | ||
| − | {{Chembox DrugBank | + | {{Chembox DrugBank |
|data={{unbulleted list | |data={{unbulleted list | ||
| − | |1={{Chembox DrugBank/format | + | |1={{Chembox DrugBank/format |
|localValue={{{DrugBank|}}} |ix_label={{{index_label|}}}|comment={{{DrugBank_Comment|}}} |botref={{{DrugBank_Ref|}}} }} | |localValue={{{DrugBank|}}} |ix_label={{{index_label|}}}|comment={{{DrugBank_Comment|}}} |botref={{{DrugBank_Ref|}}} }} | ||
| − | |11={{Chembox DrugBank/format | + | |11={{Chembox DrugBank/format |
|localValue={{{DrugBank1|}}} |ix_label={{{index1_label|}}}|comment={{{DrugBank1_Comment|}}} |botref={{{DrugBank1_Ref|}}} }} | |localValue={{{DrugBank1|}}} |ix_label={{{index1_label|}}}|comment={{{DrugBank1_Comment|}}} |botref={{{DrugBank1_Ref|}}} }} | ||
| − | |12={{Chembox DrugBank/format | + | |12={{Chembox DrugBank/format |
|localValue={{{DrugBank2|}}} |ix_label={{{index2_label|}}}|comment={{{DrugBank2_Comment|}}} |botref={{{DrugBank2_Ref|}}} }} | |localValue={{{DrugBank2|}}} |ix_label={{{index2_label|}}}|comment={{{DrugBank2_Comment|}}} |botref={{{DrugBank2_Ref|}}} }} | ||
| − | |13={{Chembox DrugBank/format | + | |13={{Chembox DrugBank/format |
|localValue={{{DrugBank3|}}} |ix_label={{{index3_label|}}}|comment={{{DrugBank3_Comment|}}} |botref={{{DrugBank3_Ref|}}} }} | |localValue={{{DrugBank3|}}} |ix_label={{{index3_label|}}}|comment={{{DrugBank3_Comment|}}} |botref={{{DrugBank3_Ref|}}} }} | ||
| − | |14={{Chembox DrugBank/format | + | |14={{Chembox DrugBank/format |
|localValue={{{DrugBank4|}}} |ix_label={{{index4_label|}}}|comment={{{DrugBank4_Comment|}}} |botref={{{DrugBank4_Ref|}}} }} | |localValue={{{DrugBank4|}}} |ix_label={{{index4_label|}}}|comment={{{DrugBank4_Comment|}}} |botref={{{DrugBank4_Ref|}}} }} | ||
| − | |15={{Chembox DrugBank/format | + | |15={{Chembox DrugBank/format |
|localValue={{{DrugBank5|}}} |ix_label={{{index5_label|}}}|comment={{{DrugBank5_Comment|}}} |botref={{{DrugBank5_Ref|}}} }} | |localValue={{{DrugBank5|}}} |ix_label={{{index5_label|}}}|comment={{{DrugBank5_Comment|}}} |botref={{{DrugBank5_Ref|}}} }} | ||
|16={{{DrugBankOther|}}} }}}}<!-- | |16={{{DrugBankOther|}}} }}}}<!-- | ||
| Line 178: | Line 176: | ||
IUPHAR iuphar --> | IUPHAR iuphar --> | ||
| − | {{Chembox IUPHAR ligand | + | {{Chembox IUPHAR ligand |
|data={{unbulleted list | |data={{unbulleted list | ||
| − | |1={{Chembox IUPHAR_ligand/format | + | |1={{Chembox IUPHAR_ligand/format |localValue={{{IUPHAR_ligand|}}} |ix_label={{{index_label|}}}|comment={{{IUPHAR_ligand_Comment|}}} }} |
| − | |11={{Chembox IUPHAR_ligand/format | + | |11={{Chembox IUPHAR_ligand/format |localValue={{{IUPHAR_ligand1|}}} |ix_label={{{index1_label|}}}|comment={{{IUPHAR_ligand1_Comment|}}} }} |
| − | |12={{Chembox IUPHAR_ligand/format | + | |12={{Chembox IUPHAR_ligand/format |localValue={{{IUPHAR_ligand2|}}} |ix_label={{{index2_label|}}}|comment={{{IUPHAR_ligand2_Comment|}}} }} |
| − | |13={{Chembox IUPHAR_ligand/format | + | |13={{Chembox IUPHAR_ligand/format |localValue={{{IUPHAR_ligand3|}}} |ix_label={{{index3_label|}}}|comment={{{IUPHAR_ligand3_Comment|}}} }} |
| − | |14={{Chembox IUPHAR_ligand/format | + | |14={{Chembox IUPHAR_ligand/format |localValue={{{IUPHAR_ligand4|}}} |ix_label={{{index4_label|}}}|comment={{{IUPHAR_ligand4_Comment|}}} }} |
| − | |15={{Chembox IUPHAR_ligand/format | + | |15={{Chembox IUPHAR_ligand/format |localValue={{{IUPHAR_ligand5|}}} |ix_label={{{index5_label|}}}|comment={{{IUPHAR_ligand5_Comment|}}} }} |
|16={{{IUPHAR_ligand_Other|}}} }}}}<!-- | |16={{{IUPHAR_ligand_Other|}}} }}}}<!-- | ||
KEGG kegg --> | KEGG kegg --> | ||
| − | {{Chembox KEGG | + | {{Chembox KEGG |
|data={{unbulleted list | |data={{unbulleted list | ||
| − | |1={{Chembox KEGG/format | + | |1={{Chembox KEGG/format |localValue={{{KEGG|}}} |ix_label={{{index_label|}}}|comment={{{KEGG_Comment|}}} |botref={{{KEGG_Ref|}}} }} |
| − | |11={{Chembox KEGG/format | + | |11={{Chembox KEGG/format |localValue={{{KEGG1|}}} |ix_label={{{index1_label|}}}|comment={{{KEGG1_Comment|}}} |botref={{{KEGG1_Ref|}}} }} |
| − | |12={{Chembox KEGG/format | + | |12={{Chembox KEGG/format |localValue={{{KEGG2|}}} |ix_label={{{index2_label|}}}|comment={{{KEGG2_Comment|}}} |botref={{{KEGG2_Ref|}}} }} |
| − | |13={{Chembox KEGG/format | + | |13={{Chembox KEGG/format |localValue={{{KEGG3|}}} |ix_label={{{index3_label|}}}|comment={{{KEGG3_Comment|}}} |botref={{{KEGG3_Ref|}}} }} |
| − | |14={{Chembox KEGG/format | + | |14={{Chembox KEGG/format |localValue={{{KEGG4|}}} |ix_label={{{index4_label|}}}|comment={{{KEGG4_Comment|}}} |botref={{{KEGG4_Ref|}}} }} |
| − | |15={{Chembox KEGG/format | + | |15={{Chembox KEGG/format |localValue={{{KEGG5|}}} |ix_label={{{index5_label|}}}|comment={{{KEGG5_Comment|}}} |botref={{{KEGG5_Ref|}}} }} |
|16={{{KEGGOther|}}} }}}}<!-- | |16={{{KEGGOther|}}} }}}}<!-- | ||
| Line 203: | Line 201: | ||
----- PUBCHEM ----- --> | ----- PUBCHEM ----- --> | ||
| − | {{Chembox PubChem | + | {{Chembox PubChem |
|data={{unbulleted list | |data={{unbulleted list | ||
| − | |1 ={{Chembox PubChem/format | + | |1 ={{Chembox PubChem/format |index=0 |localValue={{{PubChem|}}} |ix_label={{{index_label|}}} |comment={{{PubChem_Comment|}}} }} |
| − | |11={{Chembox PubChem/format | + | |11={{Chembox PubChem/format |index=1 |localValue={{{PubChem1|}}} |ix_label={{{index1_label|}}} |comment={{{PubChem1_Comment|}}} }} |
| − | |12={{Chembox PubChem/format | + | |12={{Chembox PubChem/format |index=2 |localValue={{{PubChem2|}}} |ix_label={{{index2_label|}}} |comment={{{PubChem2_Comment|}}} }} |
| − | |13={{Chembox PubChem/format | + | |13={{Chembox PubChem/format |index=3 |localValue={{{PubChem3|}}} |ix_label={{{index3_label|}}} |comment={{{PubChem3_Comment|}}} }} |
| − | |14={{Chembox PubChem/format | + | |14={{Chembox PubChem/format |index=4 |localValue={{{PubChem4|}}} |ix_label={{{index4_label|}}} |comment={{{PubChem4_Comment|}}} }} |
| − | |15={{Chembox PubChem/format | + | |15={{Chembox PubChem/format |index=5 |localValue={{{PubChem5|}}} |ix_label={{{index5_label|}}} |comment={{{PubChem5_Comment|}}} }} |
|16={{{PubChemOther|}}} }}}}<!-- | |16={{{PubChemOther|}}} }}}}<!-- | ||
| Line 217: | Line 215: | ||
----- UNII unii ----- --> | ----- UNII unii ----- --> | ||
| − | {{Chembox UNII | + | {{Chembox UNII |
|data={{unbulleted list | |data={{unbulleted list | ||
| − | |1={{Chembox UNII/format | + | |1={{Chembox UNII/format |localValue={{{UNII|}}} |ix_label={{{index_label|}}}|comment={{{UNII_Comment|}}} |botref={{{UNII_Ref|}}} }} |
| − | |11={{Chembox UNII/format | + | |11={{Chembox UNII/format |localValue={{{UNII1|}}} |ix_label={{{index1_label|}}}|comment={{{UNII1_Comment|}}} |botref={{{UNII1_Ref|}}} }} |
| − | |12={{Chembox UNII/format | + | |12={{Chembox UNII/format |localValue={{{UNII2|}}} |ix_label={{{index2_label|}}}|comment={{{UNII2_Comment|}}} |botref={{{UNII2_Ref|}}} }} |
| − | |13={{Chembox UNII/format | + | |13={{Chembox UNII/format |localValue={{{UNII3|}}} |ix_label={{{index3_label|}}}|comment={{{UNII3_Comment|}}} |botref={{{UNII3_Ref|}}} }} |
| − | |14={{Chembox UNII/format | + | |14={{Chembox UNII/format |localValue={{{UNII4|}}} |ix_label={{{index4_label|}}}|comment={{{UNII4_Comment|}}} |botref={{{UNII4_Ref|}}} }} |
| − | |15={{Chembox UNII/format | + | |15={{Chembox UNII/format |localValue={{{UNII5|}}} |ix_label={{{index5_label|}}}|comment={{{UNII5_Comment|}}} |botref={{{UNII5_Ref|}}} }} |
|16={{{UNIIOther|}}} }} }}<!-- | |16={{{UNIIOther|}}} }} }}<!-- | ||
| Line 232: | Line 230: | ||
----- StdInChI, InChI indexed----- --> | ----- StdInChI, InChI indexed----- --> | ||
{{#if:{{{StdInChI|}}}{{{InChI|}}}{{{InChI1|}}}{{{InChI2|}}}{{{InChI3|}}}{{{InChI4|}}}{{{InChI5|}}}{{{StdInChIKey|}}}{{{InChIKey|}}}{{{InChI1Key|}}}{{{InChI2Key|}}}{{{InChI3Key|}}}{{{InChI4Key|}}}{{{InChI5Key|}}}{{{InChIOther|}}} | {{#if:{{{StdInChI|}}}{{{InChI|}}}{{{InChI1|}}}{{{InChI2|}}}{{{InChI3|}}}{{{InChI4|}}}{{{InChI5|}}}{{{StdInChIKey|}}}{{{InChIKey|}}}{{{InChI1Key|}}}{{{InChI2Key|}}}{{{InChI3Key|}}}{{{InChI4Key|}}}{{{InChI5Key|}}}{{{InChIOther|}}} | ||
| − | |{{Chembox InChI | + | |{{Chembox InChI<!-- |
StdInChIKey, StdInChI --> | StdInChIKey, StdInChI --> | ||
| − | |StdInChI ={{#if:{{{StdInChI|}}}{{{StdInChIKey|}}} |{{Chembox InChI/format | + | |StdInChI ={{#if:{{{StdInChI|}}}{{{StdInChIKey|}}} |{{Chembox InChI/format |InChI={{{StdInChI|}}} |InChI_comment={{{StdInChI_Comment|}}} |InChI_Ref={{{StdInChI_Ref|}}} |InChIkey={{{StdInChIKey|}}} |InChIkey_Ref={{{StdInChIKey_Ref|}}} }}}}<!-- |
InChI, InChIKey indexed --> | InChI, InChIKey indexed --> | ||
| − | |InChI ={{#if:{{{InChI|}}}{{{InChIKey|}}} |{{Chembox InChI/format | + | |InChI ={{#if:{{{InChI|}}}{{{InChIKey|}}} |{{Chembox InChI/format |InChI={{{InChI|}}} |ix_label={{{index_label|}}} {{{InChI_Comment|}}} |InChI_Ref={{{InChI_Ref|}}} |InChIkey={{{InChIKey|}}} |InChIkey_Ref={{{InChIKey_Ref|}}} }}}} |
| − | |InChI1={{#if:{{{InChI1|}}}{{{InChIKey1|}}} |{{Chembox InChI/format | + | |InChI1={{#if:{{{InChI1|}}}{{{InChIKey1|}}} |{{Chembox InChI/format |InChI={{{InChI1|}}} |ix_label={{{index1_label|}}} {{{InChI1_Comment|}}} |InChI_Ref={{{InChI1_Ref|}}} |InChIkey={{{InChIKey1|}}} |InChIkey_Ref={{{InChIKey1_Ref|}}} }}}} |
| − | |InChI2={{#if:{{{InChI2|}}}{{{InChIKey2|}}} |{{Chembox InChI/format | + | |InChI2={{#if:{{{InChI2|}}}{{{InChIKey2|}}} |{{Chembox InChI/format |InChI={{{InChI2|}}} |ix_label={{{index2_label|}}} {{{InChI2_Comment|}}} |InChI_Ref={{{InChI2_Ref|}}} |InChIkey={{{InChIKey2|}}} |InChIkey_Ref={{{InChIKey2_Ref|}}} }}}} |
| − | |InChI3={{#if:{{{InChI3|}}}{{{InChIKey3|}}} |{{Chembox InChI/format | + | |InChI3={{#if:{{{InChI3|}}}{{{InChIKey3|}}} |{{Chembox InChI/format |InChI={{{InChI3|}}} |ix_label={{{index3_label|}}} {{{InChI3_Comment|}}} |InChI_Ref={{{InChI3_Ref|}}} |InChIkey={{{InChIKey3|}}} |InChIkey_Ref={{{InChIKey3_Ref|}}} }}}} |
| − | |InChI4={{#if:{{{InChI4|}}}{{{InChIKey4|}}} |{{Chembox InChI/format | + | |InChI4={{#if:{{{InChI4|}}}{{{InChIKey4|}}} |{{Chembox InChI/format |InChI={{{InChI4|}}} |ix_label={{{index4_label|}}} {{{InChI4_Comment|}}} |InChI_Ref={{{InChI4_Ref|}}} |InChIkey={{{InChIKey4|}}} |InChIkey_Ref={{{InChIKey4_Ref|}}} }}}} |
| − | |InChI5={{#if:{{{InChI5|}}}{{{InChIKey5|}}} |{{Chembox InChI/format | + | |InChI5={{#if:{{{InChI5|}}}{{{InChIKey5|}}} |{{Chembox InChI/format |InChI={{{InChI5|}}} |ix_label={{{index5_label|}}} {{{InChI5_Comment|}}} |InChI_Ref={{{InChI5_Ref|}}} |InChIkey={{{InChIKey5|}}} |InChIkey_Ref={{{InChIKey5_Ref|}}} }}}} |
|InChIOther={{{InChIOther|}}} | |InChIOther={{{InChIOther|}}} | ||
}}}}<!-- | }}}}<!-- | ||
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----- SMILES smiles ----- --> | ----- SMILES smiles ----- --> | ||
{{#if:{{{SMILES|}}}{{{SMILES1|}}}{{{SMILES2|}}}{{{SMILES3|}}}{{{SMILES4|}}}{{{SMILES5|}}}{{{SMILESOther|}}} | {{#if:{{{SMILES|}}}{{{SMILES1|}}}{{{SMILES2|}}}{{{SMILES3|}}}{{{SMILES4|}}}{{{SMILES5|}}}{{{SMILESOther|}}} | ||
| − | |{{Chembox SMILES | + | |{{Chembox SMILES |
| − | |SMILES ={{#if:{{{SMILES|}}}|{{Chembox SMILES/format | + | |SMILES ={{#if:{{{SMILES|}}}|{{Chembox SMILES/format |SMILES={{{SMILES|}}} |
|ix_label={{{index_label|}}} {{{SMILES_Comment|}}} }}}} | |ix_label={{{index_label|}}} {{{SMILES_Comment|}}} }}}} | ||
| − | |SMILES1={{#if:{{{SMILES1|}}}|{{Chembox SMILES/format | + | |SMILES1={{#if:{{{SMILES1|}}}|{{Chembox SMILES/format |SMILES={{{SMILES1|}}} |
|ix_label={{{index1_label|}}} {{{SMILES1_Comment|}}} }}}} | |ix_label={{{index1_label|}}} {{{SMILES1_Comment|}}} }}}} | ||
| − | |SMILES2={{#if:{{{SMILES2|}}}|{{Chembox SMILES/format | + | |SMILES2={{#if:{{{SMILES2|}}}|{{Chembox SMILES/format |SMILES={{{SMILES2|}}} |ix_label={{{index2_label|}}} {{{SMILES2_Comment|}}} }}}} |
| − | |SMILES3={{#if:{{{SMILES3|}}}|{{Chembox SMILES/format | + | |SMILES3={{#if:{{{SMILES3|}}}|{{Chembox SMILES/format |SMILES={{{SMILES3|}}} |ix_label={{{index3_label|}}} {{{SMILES3_Comment|}}} }}}} |
| − | |SMILES4={{#if:{{{SMILES4|}}}|{{Chembox SMILES/format | + | |SMILES4={{#if:{{{SMILES4|}}}|{{Chembox SMILES/format |SMILES={{{SMILES4|}}} |ix_label={{{index4_label|}}} {{{SMILES4_Comment|}}} }}}} |
| − | |SMILES5={{#if:{{{SMILES5|}}}|{{Chembox SMILES/format | + | |SMILES5={{#if:{{{SMILES5|}}}|{{Chembox SMILES/format |SMILES={{{SMILES5|}}} |ix_label={{{index5_label|}}} {{{SMILES5_Comment|}}} }}}} |
|SMILESOther={{{SMILESOther|}}} | |SMILESOther={{{SMILESOther|}}} | ||
}}}}<!-- | }}}}<!-- | ||
--><noinclude>{{documentation}}</noinclude> | --><noinclude>{{documentation}}</noinclude> | ||
Revision as of 00:27, 20 March 2017
! colspan=2 style="background: #f8eaba; text-align: center;" |Identifiers
|-
| ECHA InfoCard
| Script error: No such module "Wikidata". Script error: No such module "Wikidata".Script error: No such module "EditAtWikidata".
|-
| E number | Script error: No such module "Wikidata".
|-
| 30px | This template uses Lua: |
Contents
Usage
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 =
<!-- 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 =
}}
|
Subtemplates used
- (this list may be outdated/incomplete. {{Chembox Identifiers}} is defining).
- Indexed parameters
- {{Chembox CASNo}}, {{Chembox CASNo/format}}
- 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)
- for indexed parameters:
Similarly:
- {{Chembox ChEBI}}
- {{Chembox ChEMBL}}
- {{Chembox DrugBank}}
- {{Chembox InChI}}
- {{Chembox Jmol}}
- {{Chembox KEGG}}
- {{Chembox PubChem}}
- {{Chembox SMILES}}
- {{Chembox UNII}}
- Non-indexed parameters
- {{Chembox 3DMet}}
- {{Chembox Abbreviations}}
- {{Chembox Beilstein}}
- {{Chembox ECNumber}}
- {{Chembox Gmelin}}
- {{Chembox MeSHName}}
- {{Chembox RTECS}}
- {{Chembox UNNumber}}
Bot maintained validation
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
TemplateData
TemplateData documentation used by VisualEditor and other tools
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See the monthly parameter usage report for this template.
TemplateData for Chembox Identifiers Adds a subsection to {{Chembox}}. To be used: |Section1={{Chembox Identifiers|...}}
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See also
{{Chembox CASNo/format}}-- formatting templates
References
| The above documentation is transcluded from Template:Chembox Identifiers/doc. (edit | history) Editors can experiment in this template's sandbox (edit | diff) and testcases (edit) pages. Please add categories to the /doc subpage. Subpages of this template. |