eladnoor / component-contribution

Standard reaction Gibbs energy estimation for biochemical reactions
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5-Dehydroshikimate mismapped #16

Open eladnoor opened 7 years ago

eladnoor commented 7 years ago

Apparently, in the NIST database the compound 5-dehydroshikimate should be mapped to KEGG compound C02637, instead of C02652. The reason is that 5-dehydroshikimate belongs to an older nomenclature and is now named 3-dehydroshikimate. The compound 5-dehydroshikimate in the new nomenclature is a non-biologically occurring compound and is not relevant anymore.