stereonotations
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stereonotations [2012/10/13 14:46] – sanmark | stereonotations [2012/10/15 12:25] – sanmark | ||
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Stereo configurations of molecules in the mcule database are standardized and displayed at mcule.com accordingly. Here we give a description of our drawing standards, which are necessary to interpret stereo configurations in the mcule database correctly. | Stereo configurations of molecules in the mcule database are standardized and displayed at mcule.com accordingly. Here we give a description of our drawing standards, which are necessary to interpret stereo configurations in the mcule database correctly. | ||
- | The mcule database currently supports the representation of the two most common forms of stereoisomerism: | + | The mcule database currently supports the representation of the two most common forms of stereoisomerism: |
===Cis-trans configuration=== | ===Cis-trans configuration=== | ||
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The mcule registration system supports the distinction between unknown and unspecified/ | The mcule registration system supports the distinction between unknown and unspecified/ | ||
- | Although the mcule registration system can distinguish between unknown and unspecified/ | + | Although the mcule registration system can distinguish between unknown and unspecified/ |
===Tetrahedral configuration=== | ===Tetrahedral configuration=== | ||
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| unknown | | unknown | ||
- | Interpretation of the absolute, relative and racemic types is shown in figure. The unknown configuration type indicates that configuration type cannot be the determined surely. One should treat structures with unknown configurations as if they have absolute configuration not confirmed by the compound supplier. | + | Interpretation of the absolute, relative and racemic types is shown in table. The unknown configuration type indicates that configuration type cannot be the determined surely. One should treat structures with unknown configurations as if they have absolute configuration not confirmed by the compound supplier. |
Stereo configuration types are indicated by the displayed REL, RAC, or UNK stereo labels. If the structure has absolute stereo configuration type or does not contain any stereocenters, | Stereo configuration types are indicated by the displayed REL, RAC, or UNK stereo labels. If the structure has absolute stereo configuration type or does not contain any stereocenters, | ||
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stereonotations.txt · Last modified: 2012/10/15 12:27 by sanmark