Talk:Q64827893
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Autodescription — arterolane (Q64827893)
description: chemical compound
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- Report on constraint conformation of “arterolane” claims and statements. Constraints report for items data
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arterolane⟩ on wikidata tree visualisation (external tool)(depth=1) - Generic queries for classes
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@Snipre: UNII 3N1TN351VB is specific for the substance used as a medication. Q3347765 is attached to the Wikipedia articles about the medication. According to WHO (https://www.who.int/medicines/publications/druginformation/innlists/RL59.pdf) the medication is specifically the cis isomer Q3347765, not the mixture of stereoisomers, Q64827893. Edgar181 (talk) 14:46, 28 June 2019 (UTC)
- @Edgar181: Wikipedia is not a source and I don't care about the link between WP article and WD item. In reality arterolan has more than 2 chiral but due to physical constraints only the definition of 2 chiral centers is enough to determine the whole configuration of the molecule. Just consider both representations below:
2 chiral centers defined, VXYZBLXGCYNIHP-MMNSZCNZSA-N
3 chiral centers defined, VXYZBLXGCYNIHP-SSPKTAKCSA-N
- Both pictures show the same molecule if we assume the usual rules about bond length and bond angles, but the second is more precise and generates a different InChIKey compared to the first one.
- My problem is the following: I have two different InChIKeys and the objective is to create one item for each InChIKey. The problem witht the WHO representation is that they define the molecule with the minimal amount of chiral centers and and the rest of the structure is implicitely defined. But theoretically the configuration of WHO is a mixture of stereoisomers where only one configuration is physically possible. Snipre (talk) 02:30, 3 July 2019 (UTC)
- Where there is a mistake in one or more data sources that is connecting the wrong chemical structure and/or InChIKey to the medicine ingredient, we are going to have an unresolved contradiction one way or the other. In my mind, the UNII identifier only has inherent value through its connection to the ingredient used in medicine. Therefore it is more important that it should be attached to the same Wikidata item that the Wikipedia articles about the medicine are attached to, rather than attached to the right InChIKey. We can't have both, so we should go with the one with more inherent value. Edgar181 (talk) 12:34, 3 July 2019 (UTC)