Table 2.
Stereochemistry | OK | # in KEGG | # in BioMeta | # Corrected |
Not possible | + | 3725 | 3764 | |
Undefined (i.e., omitted) | – | 554 | 366 | 188 |
Incompletely defined – meso | – | 24 | 3 | 21 |
Incompletely defined – absolute | – | 1080 | 691 | 389 |
Incompletely defined – relative | – | 294 | 171 | 123 |
Completely defined – meso | + | 56 | 89 | |
Completely defined – absolute | + | 3735 | 4823 | |
Completely defined – relative | – | 2032 | 1669 | 363 |
Total not OK | 3984 | 2900 | 1084 | |
Total OK | 7516 | 8676 | ||
Total | 11500 | 11576 |
The numbers in this table give a more detailed breakdown of the sp3 stereochemistry enhancements from Table 1. Here "OK" means a single, completely defined, compound. The "unspecified enantiomer" cases from Table 1 are split here between two "relative" stereochemistry cases, incompletely and completely defined. Note that not all "Completely defined – relative" cases need to be errors – a number of drugs may be racemic compounds.