| Reagent/Resource | Reference or source | Identifier or catalog number |
|---|---|---|
| Experimental models | ||
| ASKA library (E. coli) | Kitagawa et al (2005) | N/A |
| Chemicals, enzymes and other reagents | ||
| Yeast extract (for LB medium) | BD Bioscience | 288620 |
| Tryptone (for LB medium) | LLG Labware | 6271005 |
| Chloramphenicol | Merck (Sigma‐Aldrich) | C0378 |
| Isopropyl β‐D‐1‐thiogalactopyranoside | Merck (Sigma‐Aldrich) | I5502 |
| B‐PER™ reagent (in phosphate buffer) | Thermo Scientific | 78266 |
| Lysozyme from chicken egg white | Merck (Sigma‐Aldrich) | 62970‐5G‐F |
| DNase I | PanReac AppliChem | A3778, 0100 |
| Phenylmethanesulfonyl fluoride | Merck (Sigma‐Aldrich) | 93482 |
| His GraviTrap TALON columns | GE Healthcare | 29000594 |
| ZEBA™ Spin Desalting Columns, 7K MWCO, 10 ml | Thermo Scientific | 89893 |
| Imidazole | Merck (Sigma‐Aldrich) | I3386 |
| di‐Potassium hydrogen phosphate | Merck (Sigma‐Aldrich) | 1.05104 |
| Potassium dihydrogen phosphate | Merck (Sigma‐Aldrich) | 1.04873 |
| Trizma base | Merck (Sigma‐Aldrich) | T1503 |
| NaCl | Merck (Sigma‐Aldrich) | 1.06404 |
| KCl | Merck (Sigma‐Aldrich) | 60130 |
| MgCl2 | Merck (Sigma‐Aldrich) | 63072 |
| D2O | ARMAR Chemicals | 014400 |
| 4,4‐dimethyl‐4‐silapentane‐1‐sulfonic acid | Merck (Sigma‐Aldrich) | 178837 |
| Methanol | Merck (Sigma‐Aldrich) | 1.06009 |
| Isopropanol | Merck (Sigma‐Aldrich) | 34863 |
| Water | Merck (Sigma‐Aldrich) | 34877 |
| NH4F | Merck (Sigma‐Aldrich) | 338869 |
| Hexakis(1H, 1H, 3H‐tetrafluoropropoxy)phosphazine | Agilent | G1969‐85001 |
| Homotaurine | Merck (Sigma‐Aldrich) | A76109 |
| D‐glucopyranose‐6‐phosphate | Merck (Sigma‐Aldrich) | G7879 |
| Glyceraldehyde 3‐phosphate | Merck (Sigma‐Aldrich) | G5251 |
| Acetyl phosphate | Merck (Sigma‐Aldrich) | 01409 |
| Coenzyme A | Merck (Sigma‐Aldrich) | C4780 |
| Acetyl‐coenzyme A | Merck (Sigma‐Aldrich) | A2056 |
| l‐Alanine | Merck (Sigma‐Aldrich) | 05130 |
| l‐Arginine | Merck (Sigma‐Aldrich) | 11010 |
| l‐Asparagine | Merck (Sigma‐Aldrich) | A8381 |
| l‐Aspartate | Merck (Sigma‐Aldrich) | 11189 |
| l‐Cysteine | Merck (Sigma‐Aldrich) | C7352 |
| l‐Glutamine | Merck (Sigma‐Aldrich) | 49419 |
| l‐Glutamate | Merck (Sigma‐Aldrich) | 49621 |
| Glycine | Merck (Sigma‐Aldrich) | G5417 |
| l‐Histidine | Merck (Sigma‐Aldrich) | 53320 |
| l‐Isoleucine | Merck (Sigma‐Aldrich) | I2752 |
| l‐Leucine | Merck (Sigma‐Aldrich) | 61819 |
| l‐Lysine | Merck (Sigma‐Aldrich) | L5501 |
| l‐Methionine | Merck (Sigma‐Aldrich) | M9625 |
| l‐Phenylalanine | Merck (Sigma‐Aldrich) | P2126 |
| l‐Proline | Merck (Sigma‐Aldrich) | P0380 |
| l‐Serine | Merck (Sigma‐Aldrich) | 84960 |
| l‐Threonine | Merck (Sigma‐Aldrich) | T8625 |
| l‐Tryptophan | Merck (Sigma‐Aldrich) | 93660 |
| l‐Tyrosine | Merck (Sigma‐Aldrich) | 93830 |
| l‐Valine | Merck (Sigma‐Aldrich) | V0500 |
| Phenylpyruvate | Merck (Sigma‐Aldrich) | 286958 |
| Shikimate | Merck (Sigma‐Aldrich) | S5375 |
| l‐Homoserine | Merck (Sigma‐Aldrich) | H6515 |
| 3‐Methyl‐2‐oxobutanoate | Merck (Sigma‐Aldrich) | 198994 |
| l‐Ornithine | Merck (Sigma‐Aldrich) | O8305 |
| l‐Cystathionine | Merck (Sigma‐Aldrich) | C7505 |
| 2‐Oxoglutarate | Merck (Sigma‐Aldrich) | 75890 |
| Citrate | Merck (Sigma‐Aldrich) | 1.00244 |
| l‐Malate | Merck (Sigma‐Aldrich) | M1125 |
| Succinate | Merck (Sigma‐Aldrich) | S2378 |
| Fumarate | Merck (Sigma‐Aldrich) | F1506 |
| Itaconate | Merck (Sigma‐Aldrich) | 129204 |
| Nicotinamide adenine dinucleotide | Merck (Sigma‐Aldrich) | 43410 |
| Nicotinamide adenine dinucleotide phosphate | Merck (Sigma‐Aldrich) | N5755 |
| Flavin adenine dinucleotide | Merck (Sigma‐Aldrich) | F6625 |
| D‐Glucose‐6‐phosphate | Merck (Sigma‐Aldrich) | G7250 |
| D‐Fructose 1,6‐bisphosphate | Merck (Sigma‐Aldrich) | F6803 |
| Dihydroxyacetone phosphate | Merck (Sigma‐Aldrich) | 51269 |
| D‐(‐)‐3‐Phosphoglycerate | Merck (Sigma‐Aldrich) | P8877 |
| Phosphoenolpyruvate | Merck (Sigma‐Aldrich) | 860077 |
| Pyruvate | Merck (Sigma‐Aldrich) | P2256 |
| 6‐Phosphogluconate | Merck (Sigma‐Aldrich) | P7877 |
| D‐Ribulose‐5‐phosphate | Merck (Sigma‐Aldrich) | 83899 |
| Inosine 5′‐monophosphate | Merck (Sigma‐Aldrich) | I4500 |
| Hypoxanthine | Merck (Sigma‐Aldrich) | H9377 |
| 5‐Phospho‐D‐ribose 1‐diphosphate | Merck (Sigma‐Aldrich) | P8296 |
| Adenosine 5′‐monophosphate | Merck (Sigma‐Aldrich) | 01930 |
| Adenosine 5′‐triphosphate | Merck (Sigma‐Aldrich) | A26209 |
| Adenosine 3′,5′‐cyclic monophosphate | Merck (Sigma‐Aldrich) | A6885 |
| Cytidine 5′‐triphosphate | Merck (Sigma‐Aldrich) | C1506 |
| Guanosine 5′‐triphosphate | Merck (Sigma‐Aldrich) | G8877 |
| Thymidine 5′‐triphosphate | Merck (Sigma‐Aldrich) | T0251 |
| Uracil | Merck (Sigma‐Aldrich) | 94220 |
| Spermidine | Merck (Sigma‐Aldrich) | S2626 |
| Malonate | Merck (Sigma‐Aldrich) | M1875 |
| Software | ||
| Matlab R2018b | The MathWorks, Inc. | N/A |
| Python 2.5.3 (TopSpin‐Jython implementation) | https://www.python.org/ | N/A |
| TopSpin 3.2 | Bruker | N/A |
| NMRmix | Stark et al (2016) | N/A |
| Simcomp2 | Hattori et al (2010); https://www.genome.jp/tools/simcomp2/ | N/A |
| Other | ||
| 5‐mm TA tubes | ARMAR Chemicals | N/A |
| Avance III‐HD 600 MHz NMR spectrometer, CPTCI 1H/19F‐13C/15N‐2H probe | Bruker | N/A |
| Tecan Infinite M200 | Tecan | N/A |
| 6520 series iFunnel quadrupole time‐of‐flight mass spectrometer | Agilent | N/A |
| MPS2 autosampler | GERSTEL | N/A |
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