Property talk:P661

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ChemSpider ID
identifier in a free chemical database, owned by the Royal Society of Chemistry

Description	identifier in ChemSpider (Q2311683), ChemSpider chemical database, owned by the Royal Society of Chemistry (Q905549).
Associated item	ChemSpider (Q2311683)
Applicable "stated in" value	ChemSpider (Q2311683)
Data type	External identifier
Template parameter	Template:Infobox drug (Q6033882) ChemSpiderID, Template:Chembox (Q52426) ChemSpiderID
Domain	According to this template: chemical substance (Q79529), more specifically chemical compound (Q11173) According to statements in the property: type of chemical entity (Q113145171), chemical element (Q11344), group of chemical entities (Q55640599) or type of mixture of chemical entities (Q119892838) 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)
Source	https://www.chemspider.com/
Formatter URL	https://www.chemspider.com/Chemical-Structure.$1.html
Robot and gadget jobs	Gather data from infoboxes and website.
Tracking: usage	Category:Pages using Wikidata property P661 (Q26250012)
Lists	Items with the most statements of this property Count of items by number of statements (chart) Items with the most statements Items with the fewest statements Count of items by number of sitelinks (chart) Items with the most sitelinks Items with the most sitelinks, but no link to one Wikipedia (sample: Welsh Wikipedia, cywiki) Items with the fewest sitelinks Most linked wikis Items with the most identifier properties Items with no other external identifier Items with no other statements Most recently created items Items with novalue claims Items with unknown value claims Usage history (total) Usage history (main statement) Chart by item creation date Database reports/Constraint violations/P661 Map Random list
Proposal discussion	Proposal discussion
Current uses	Total 251,431 Main statement 127,844 out of 114,000,000 (0% complete) 50.8% of uses Qualifier 3 <0.1% of uses Reference 123,584 49.2% of uses
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Explanations [Edit]

More than one valid ChemSpider ID

Different entries for unknown and undefined stereocenters

ChemSpider has different entries generated using non-standard InChI in which the distinction is made between unknown and undefined stereocenters. The only differences are values of non-standard InChIs (symbol ‘u’ for explicitly entered unknown stereocenters and symbol ‘?’ for undefined stereocenters) and chemical structure illustrations (wiggly bonds vs plain bonds).

This WikiProject Chemistry subpage collects information about items for which more than one valid ChemSpider ID is present due to the situation described above. It also provide an example on how such situation should be modelled in an item using ChemSpider ID (P661) property and a criterion used (P1013) qualifier with ChemSpider entry describing a chemical structure with undefined configuration of a stereocenter (Q121132949) and ChemSpider entry describing a chemical structure with an explicitly stated unknown configuration of a stereocenter (Q121132960) values.

Different entries for ionic and covalent structures

ChemSpider may have different entries for the same chemical entity, one with a ionic representation of structure and the other one with covalent. Usually there are differences with SMILES, non-standard InChI/InChIKey, names and structural formula, while the standard InChI and InChIKey are the same.

This WikiProject Chemistry subpage collects information about items for which more than one valid ChemSpider ID is present due to the situation described above. It also provide an examples on how such situation should be modelled in an item.

Type “type of chemical entity (Q113145171), chemical element (Q11344), group of chemical entities (Q55640599), type of mixture of chemical entities (Q119892838)”: item must contain property “instance of (P31)” with classes “type of chemical entity (Q113145171), chemical element (Q11344), group of chemical entities (Q55640599), type of mixture of chemical entities (Q119892838)” or their subclasses (defined using subclass of (P279)). (Help)

Exceptions are possible as rare values may exist. Exceptions can be specified using exception to constraint (P2303).
List of violations of this constraint: Database reports/Constraint violations/P661#Type Q113145171, Q11344, Q55640599, Q119892838, SPARQL

Format “([1-9]\d*|)”: value must be formatted using this pattern (PCRE syntax). (Help)

List of violations of this constraint: Database reports/Constraint violations/P661#Format, hourly updated report, SPARQL

Single best value: this property generally contains a single value. If there are several, one would have preferred rank (Help)

Exceptions are possible as rare values may exist. Exceptions can be specified using exception to constraint (P2303). Known exceptions: zinc dithionite (Q204717)
List of violations of this constraint: Database reports/Constraint violations/P661#single best value, SPARQL

Distinct values: this property likely contains a value that is different from all other items. (Help)

Exceptions are possible as rare values may exist. Exceptions can be specified using exception to constraint (P2303).
List of violations of this constraint: Database reports/Constraint violations/P661#Unique value, SPARQL (every item), SPARQL (by value)

Scope is as main value (Q54828448), as reference (Q54828450): the property must be used by specified way only (Help)

List of violations of this constraint: Database reports/Constraint violations/P661#Scope, hourly updated report, SPARQL

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. Exceptions can be specified using exception to constraint (P2303).
List of violations of this constraint: Database reports/Constraint violations/P661#Entity types

This property is being used by: he:תבנית:תרופה ru:Шаблон:Вещество ru:Шаблон:Изомеры be:Шаблон:Рэчыва es:Plantilla:Ficha de compuesto químico, es:Plantilla:Ficha de medicamento, es:Plantilla:Ficha de compuesto químico/pruebas2 ko:틀:화합물 정보 tt:Калып:Матдә2 eo:Ŝablono:Informkesto kemia substanco, eo:Ŝablono:Informkesto kemia substanco/dokumentado hy:Կաղապար:Տեղեկաքարտ Նյութ de:Vorlage:Infobox Chemikalie, de:Vorlage:Infobox Chemikalie/Test be-x-old:Шаблён:Рэчыва tg:Шаблон:Моддаи кимиёӣ cy:Nodyn:Cyffuriau no:Mal:Infoboks legemiddel mn:Загвар:Инфобокс химийн нэгдэл ca:Plantilla:Identificadors química, ca:Plantilla:Infotaula de fàrmac, ca:Plantilla:Amadalvarez/traduccions 2, ca:Plantilla:Infotaula de fàrmac/prova, ca:Plantilla:Infotaula fàrmac/prova cs:Šablona:Infobox - léčivá látka uk:Шаблон:Хімічні властивості ga:Teimpléad:WD Bosca Sonraí Druga be-tarask:Шаблён:Рэчыва Please notify projects that use this property before big changes (renaming, deletion, merge with another property, etc.)