Property talk:P661

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ChemSpider ID
identifier in a free chemical database, owned by the Royal Society of Chemistry
Descriptionidentifier in ChemSpider (Q2311683), ChemSpider chemical database, owned by the Royal Society of Chemistry (Q905549).
RepresentsChemSpider (Q2311683)
Applicable "stated in" valueChemSpider (Q2311683)
Data typeExternal identifier
Template parameterTemplate:Infobox drug (Q6033882) ChemSpiderID, Template:Infobox chemical (Q52426) ChemSpiderID
According to this template: chemical substance (Q79529), more specifically chemical compound (Q11173)
According to statements in the property:
chemical substance (Q79529), molecular entity (Q2393187), chemical element (Q11344), group of chemical compounds (Q56256086) or group of ions (Q55640599)
When possible, data should only be stored as statements
Allowed values[1-9]\d*
Example(RS)-methadone (Q179996)3953 (RDF)
vitamin C (Q199678)10189562 (RDF)
sulfuric acid (Q4118)1086 (RDF)
Formatter URL$1.html
Robot and gadget jobsGather data from infoboxes and website.
Tracking: usageCategory:Pages using Wikidata property P661 (Q26250012)
Proposal discussionProposal discussion
Current uses
Main statement126,781 out of 92,000,000 (0% complete)50.6% of uses
Qualifier3<0.1% of uses
Reference123,63649.4% of uses
Search for values
[create Create a translatable help page (preferably in English) for this property to be included here]
  Exceptions are possible as rare values may exist.
List of this constraint violations: Database reports/Constraint violations/P661#type Q79529, Q2393187, Q11344, Q56256086, Q55640599, SPARQL, SPARQL (new)
Format “([1-9]\d*|): value must be formatted using this pattern (PCRE syntax). (Help)
List of this constraint violations: Database reports/Constraint violations/P661#Format, hourly updated report, SPARQL, SPARQL (new)
Distinct values: this property likely contains a value that is different from all other items. (Help)
Exceptions are possible as rare values may exist.
List of this constraint violations: Database reports/Constraint violations/P661#Unique value, SPARQL (every item), SPARQL (by value), SPARQL (new)
Scope is as main value (Q54828448), as reference (Q54828450): the property must be used by specified way only (Help)
List of this constraint violations: Database reports/Constraint violations/P661#scope, hourly updated report, SPARQL, SPARQL (new)
Allowed entity types are Wikibase item (Q29934200): the property may only be used on a certain entity type (Help)
Exceptions are possible as rare values may exist.
List of this constraint violations: Database reports/Constraint violations/P661#allowed entity types, SPARQL (new)

Link to databaseEdit

Why is the ID not linked to the database? In Q130336 for example only PubChem ID is linked, but not the ChemSpider ID. --Leyo 08:55, 23 July 2013 (UTC)

Hi Leyo! I think I just forgot to link it at MediaWiki talk:Gadget-AuthorityControl.js. I'm going to fix it. --Tobias1984 (talk) 09:01, 23 July 2013 (UTC)
  Done tested and working ;) --Tobias1984 (talk) 09:05, 23 July 2013 (UTC)

Reasons for exception to single value constraintEdit

I have cleared exceptions to the single value constraints. Most of them had two ChemSpider IDs, one correct and one with incorrect data (sometimes ChemSpider entries have the same data like InChI/InChIKey/systematic name/SMILES/structure, but non-standard InChI is different and suggests that the compound have in fact other configuration etc.). Below I started a list of known and confirmed situations in which two ChemSpider IDs should point to one Wikidata entry. Wostr (talk) 23:52, 10 December 2019 (UTC)

List of exceptions to single value constraint:

  • ChemSpider distinguishes 'compound with explicitly undefined stereocenter' and 'compound with unknown stereocenter'; the only difference in these entries may be the structure (wiggly bond vs plain bond) and/or non-standard InChI (which is not visible to readers without signing in and clicking on the "Wikibox" link):
No Item Identifiers Non-standard InChIs Added by
1 L-fucopyranose (Q409082)
  • InChI=1/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6?/m0/s1
  • InChI=1/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6u/m0/s1
Wostr (talk) 23:42, 10 December 2019 (UTC)
2 D-ribofuranose (Q179271)
  • InChI=1/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5?/m1/s1
  • InChI=1/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5u/m1/s1
Wostr (talk) 20:09, 18 February 2020 (UTC)
3 D-ribopyranose (Q27120754)
  • InChI=1/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4-,5?/m1/s1
  • InChI=1/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4-,5u/m1/s1
Wostr (talk) 20:36, 18 February 2020 (UTC)
4 L-arabinofuranose (Q27107116)
  • InChI=1/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5?/m0/s1
  • InChI=1/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5u/m0/s1
Wostr (talk) 21:15, 18 February 2020 (UTC)
5 D-arabinofuranose (Q27148117)
  • InChI=1/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5?/m1/s1
  • InChI=1/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5u/m1/s1
Wostr (talk) 21:15, 18 February 2020 (UTC)
6 L-arabinopyranose (Q27102447)
  • InChI=1/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5?/m0/s1
  • InChI=1/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5u/m0/s1
Wostr (talk) 21:59, 18 February 2020 (UTC)
7 D-arabinopyranose (Q27120748)
  • InChI=1/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5?/m1/s1
  • InChI=1/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5u/m1/s1
Wostr (talk) 21:59, 18 February 2020 (UTC)
8 L-xylopyranose (Q27094774)
  • InChI=1/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5?/m0/s1
  • InChI=1/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5u/m0/s1
Wostr (talk) 23:40, 18 February 2020 (UTC)
9 D-xylopyranose (Q74410731)
  • InChI=1/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5?/m1/s1
  • InChI=1/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5u/m1/s1
Wostr (talk) 23:40, 18 February 2020 (UTC)
10 D-allopyranose (Q27106301)
  • InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6?/m1/s1
  • InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6u/m1/s1
Wostr (talk) 14:00, 16 October 2020 (UTC)
11 D-galactopyranose (Q27106307)
  • InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6?/m1/s1
  • InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6u/m1/s1
Wostr (talk) 16:28, 19 October 2020 (UTC)
12 L-galactopyranose (Q27117210)
  • InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6?/m0/s1
  • InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6u/m0/s1
Wostr (talk) 17:21, 19 October 2020 (UTC)
13 L-gulopyranose (Q27117232)
  • InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5-,6?/m0/s1
  • InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5-,6u/m0/s1
Wostr (talk) 22:43, 2 November 2020 (UTC)
14 (RS)-iloprost (Q20817139)
  • InChI=1/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1
  • InChI=1/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15u,17-,18+,19-,20+,21+/m0/s1
Wostr (talk) 20:53, 26 December 2020 (UTC)
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