Property talk:P2017

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isomeric SMILES
dedicated SMILES for isomer

Represents	simplified molecular input line entry specification (Q466769)
Data type	String
Domain	According to this template: chemical compounds According to statements in the property: type of chemical entity (Q113145171), chemical element (Q11344), isotope (Q25276), functional group (Q170409), structural class of chemical entities (Q47154513) or group of isomeric entities (Q15711994) When possible, data should only be stored as statements
Allowed values	[A-Za-z0-9+\-\*=#$:().>\[\]%]*([@\\/]|\[\d)[A-Za-z0-9+\-\*=#$:().>@\\/\[\]%]+
Example	L-Alanine (Q218642) → [C@@H(N)C&zoom=2.0&annotate=cip O=C(O)[C@@H](N)C] sulfur-37 (Q18844574) → [37S&zoom=2.0&annotate=cip [37S]]
Source	Main databases about chemical compounds (note: this information should be moved to a property statement; use property source website for the property (P1896))
Formatter URL	http://www.simolecule.com/cdkdepict/depict/bow/svg?smi=$1&zoom=2.0&annotate=cip
See also	canonical SMILES (P233), SMARTS notation (P8533)
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 statements Most recently created items Items with novalue claims Items with unknown value claims Usage history (total) Usage history (main statement) Database reports/Constraint violations/P2017 Map Random list
Proposal discussion	Proposal discussion
Current uses	Total 414,211 Main statement 414,209 >99.9% of uses Qualifier 2 <0.1% of uses
Search for values

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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/P2017#Unique value, SPARQL (every item), SPARQL (by value)

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).
List of violations of this constraint: Database reports/Constraint violations/P2017#single best value, SPARQL

Format “[A-Za-z0-9+\-\*=#$:().>\[\]%]*([@\\/]|\[\d)[A-Za-z0-9+\-\*=#$:().>@\\/\[\]%]+”: value must be formatted using this pattern (PCRE syntax). (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/P2017#Format, SPARQL

Qualifiers “reason for deprecated rank (P2241), reason for preferred rank (P7452), intended subject of deprecated statement (P8327), criterion used (P1013)”: this property should be used only with the listed qualifiers. (Help)

List of violations of this constraint: Database reports/Constraint violations/P2017#allowed qualifiers, hourly updated report, SPARQL

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

List of violations of this constraint: Database reports/Constraint violations/P2017#Scope, hourly updated report, SPARQL

Item “canonical SMILES (P233)”: Items with this property should also have “canonical SMILES (P233)”. (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/P2017#Item P233, search, 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/P2017#Entity types

Type “type of chemical entity (Q113145171), chemical element (Q11344), isotope (Q25276), functional group (Q170409), structural class of chemical entities (Q47154513), group of isomeric entities (Q15711994)”: item must contain property “instance of (P31)” with classes “type of chemical entity (Q113145171), chemical element (Q11344), isotope (Q25276), functional group (Q170409), structural class of chemical entities (Q47154513), group of isomeric entities (Q15711994)” 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/P2017#Type Q113145171, Q11344, Q25276, Q170409, Q47154513, Q15711994, SPARQL

This property is being used by: en:Template:Musixmatch ca:Plantilla:Infotaula compost químic, ca:Plantilla:Proteïna, ca:Plantilla:Infotaula proteïna eu:Txantiloi:Konposatu kimiko infotaula/probak, eu:Txantiloi:Konposatu kimiko infotaula ha:Template:Infobox chemical incubator:Template:Wp/shi/Infobox chemical kab:Talɣa:Infobox chemical shi:Talɣa:Infobox chemical ga:Teimpléad:WD Bosca Sonraí Comhdhúil Cheimiceach ff:Template:Infobox chemical gv:Clowan:WD Kishtey Fys Co-vunstoo Please notify projects that use this property before big changes (renaming, deletion, merge with another property, etc.)

Updated example

Earlier today I noted that 2-pentanol (Q210479) was used as an example. However, that entity is not stereochemically pure compound, but rather a mixture of the two (or the concept of the 2-propanol with undefined stereochemistry). See the Wikipedia entry and the description in Wikidata. So, I had removed the isomeric SMILES, only to be pinged by Pigsonthewing (talk • contribs • logs) that it was the example here. Therefore, I decided to update the example. It now uses L-Alanine (Q218642).