Table 1 Examples of nonnative metabolites for which our algorithm detected heterologous reactions matching those of previous studies
From: An in silico platform for the design of heterologous pathways in nonnative metabolite production
Compound (synonym separated by a semicolon) | KEGG ID | Heterologous reaction(s) from the literature | Reference | Evaluation of in silico  design |
|---|---|---|---|---|
Isoprene; 2-methyl-1,3-butadiene | C16521 | Introduced ispS gene from Populus nigra to Escherichia coli | [47] | Identical reaction found in E. coli and in Saccharomyces cerevisiae and Cerevisiae glutamicum as the host |
α-Farnesene | C09665 | Introduced farnesene synthase from plant to E. coli | [13] | Identical reaction found in E. coli and in S. cerevisiae and C. glutamicum as the host |
Poly-β-hydroxybutyrate; PHB | C06143 | Introduced phbC and phbB from Streptomyces aureofaciens to E. coli | [48] | Identical reaction found in E. coli and in S. cerevisiae and C. glutamicum as the host |
Cadaverine; 1,5-pentanediamine; 1,5-diaminopentane | C01672 | Introduced ldcC from E. coli to C. glutamicum | Identical reaction found in C. glutamicum and in S. cerevisiae as the host | |
Amorpha-4,11-diene | C16028 | Introduced AMS1 from the plant Artemisia annua L. to E. coli | Identical reaction found in E. coli and S. cerevisiae and in C. glutamicum as the host | |
Propane-1,3-diol; 1,3propanediol; trimethylene glycol | C02457 | Introduced glycerol dehydratase and 1,3-propanediol oxidoreductase from Klebsiella pneumonia to E. coli. | Identical reaction found in E. coli and in S. cerevisiae as the host | |
Ethanol; ethyl alcohol; methylcarbinol | C00469 | Introduced pyruvate decarboxylase and alcohol dehydrogenase genes from Zymomonas mobilis to C. glutamicum | [54] | Identical reaction found in C. glutamicum as the host |
(R,R)-Butane-2,3-diol; (R,R)-2,3-Butanediol; (R,R)-2,3-Butylene glycol | C03044 | Introduced acetolactate decarboxylase and butanediol dehydrogenase genes to E. coli | [55] | Identical reaction found in E. coli as the host |
(R)-Propane-1,2-diol; (R)-1,2-propanediol; (R)-propylene glycol | C02912 | Introduced glycerol dehydrogenase gene from Klebsiella pneumonia and used aldehyde dehydrogenase to produce product in E. coli | [56] | Alternative pathway found to produce target by adding methylglyoxal reductase and lactaldehyde reductase to E. coli |
| Â | Â | Introduced glycerol dehydrogenase and methylglyoxal synthase genes from E. coli to S. cerevisiae | [57] | Alternative pathway found to produce target by adding methylglyoxal reductase and lactaldehyde reductase to S. cerevisiae |
Itaconate; itaconic acid; methylenesuccinic acid | C00490 | No information | NA | EC 4.2.1.4-citrate dehydratase and EC 4.1.1.6-aconitate decarboxylase were found to be added to E. coli as the host. |
 cis  ,  cis  -Muconate;  cis  ,  cis  -hexadienedioate;  cis  ,  cis  -2,4-hexadienedioic acid | C02480 | Introduced aroZ, aroY, and catA to E. coli | [58] | Alternative pathways from antharnilate or 2,3-dihydroxybenzoate to produce catechol, which is a substrate for cis,cis-muconate production |
Adipate; adipic acid; hexanedioate; hexan-1,6-dicarboxylate | C06104 | Introduced aroZ, aroY, and catA to E. coli for producing cis,cis- muconate and then convert to adipic acid by chemical synthesis | [58] | Alternative pathway found to produce the target by adding 5 heterologous reactions to E. coli or C. glutamicum as the hosts (see Additional files 5 and 6 for enzyme information) |