మూస:Chembox Identifiers/doc

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Usage[మార్చు]

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 (the first line becomes e.g. "| Section8 = {{Chembox Identifiers", there are 15 sections available). When using the EC number entry, use either EINECS or EC-number, EINECS gives an unhyphenated entry title, whereas EC-number gives the hyphenated title.

| Section = {{Chembox Identifiers
|  Abbreviations = 
|  CASNo = 
|   CASNo_Comment = 
|   CASNo_Ref = 
|   CASOther = 
|  PubChem = 
|   PubChem_Comment = 
|   PubChem_Ref = 
|   PubChemOther = 
|  ChemSpiderID = 
|   ChemSpiderID_Comment =
|   ChemSpiderID_Ref =
|   ChemSpiderIDOther =
|  EINECS = OR |  EC-number = 
|  UNNumber = 
|  DrugBank = 
|  KEGG = 
|  MeSHName = 
|  ChEBI = 
|  IUPHAR_ligand = 
|  RTECS = 
|  ATCvet = 
|   ATCCode = 
|   ATCCode_prefix = 
|   ATCCode_suffix = 
|   ATC_Supplemental = 
|  SMILES = 
|   SMILES_Comment =
|   SMILES_Ref =
|   SMILESOther =
|  StdInChI = 
|   StdInChI_Comment =
|   StdInChI_Ref =
|  StdInChIKey = 
|   StdInChIKey_Comment =
|   StdInChIKey_Ref =
|  InChI = 
|   InChI_Comment =
|   InChI_Ref =
|   InChIOther =
|  InChIKey = 
|   InChIKey_Comment =
|   InChIKey_Ref =
|   InChIKeyOther =
|  Beilstein = 
|  UNII =
|   UNII_Comment =
|   UNII_Ref =
|   UNIIOther =
|  Gmelin = 
|  3DMet = }}

* Abbreviations
* CAS registry number, links to http://www.commonchemistry.org/
* CAS registry number comment
* CAS registry number verified? If yes, type: {{cascite}}
* Other CAS registry number, comma included
* PubChem compound ID, links to http://pubchem.ncbi.nlm.nih.gov/
* PubChem compound ID comment
* PubChem compound ID verified? If yes, type: {{pubchemcite}}
* Other PubChem compound ID, comma included
* ChemSpider ID, links to http://www.chemspider.com/
* ChemSpider ID comment
* ChemSpider ID verified? If yes, type: {{chemspidercite}}
* Other ChemSpider ID, comma included
* EC number, links to http://ecb.jrc.ec.europa.eu/esis/
* UN number
* DrugBank ID, links to http://www.drugbank.ca/
* KEGG entry, links to http://www.genome.jp/kegg/
* MeSH heading, links to http://www.nlm.nih.gov/mesh/
* ChEBI ID, links to http://www.ebi.ac.uk/chebi/
* IUPHAR-DB ligand ID, links to http://www.iuphar-db.org/index.jsp
* RTECS number
* ATC vet code? If yes, type: yes
* ATC full code, dependend (see below)
* ATC code prefix, links internally, dependend (see below)
* ATC code suffix, dependend (see below)
* ATC supplemental full code
* SMILES
* SMILES comment
* SMILES verified
* Other SMILES
* StdInChI
* StdInChI comment
* StdInChI verified
* StdInChI Key
* StdInChI Key comment
* StdInChI Key verified
* InChI
* InChI comment
* InChI verified
* Other InChI 
* InChI Key
* InChI Key comment
* InChI Key verified
* Other InChI Key
* Beilstein reference
* Unique Ingredient Identifier
* UNII comment
* UNII Verified
* Other UNII
* Gmelin ID
* 3DMET entry, links to http://www.3dmet.dna.affrc.go.jp/
  • If the ATC code is a vet code, then the full ATC code and ATC code prefix includes a letter 'Q', and they link to http://www.whocc.no/atcvet/.
  • If the ATC code is not a vet code, then the full ATC code and ATC code suffix links to http://www.whocc.no/.
  • The parameters CASNo, SMILES, InChI, ChemSpider, InChIKey, UNII, and PubChem can have 4 additional ones - use CASNo for the first and main; CASNo1, CASNo2, CASNo3 and CASNo4 for the next; CASNo1 has CASNo1_Comment and CASNo1_Ref.

See also[మార్చు]

Category:Chembox templates