Table 2.
List of reactions and atom transitions for the A549 carcinoma model.
| Metabolic reaction network and carbon atom transitions used for flux determination and modeling |
|---|
| Measured fluxes |
| Gluc.x (abcdef)→G6P (abcdef) |
| Lac (abc)→Lac.x (abc) |
| Gln.x (abcde)→Gln (abcde) |
| Glu (abcde)→Glu.x (abcde) |
| 0.18 Asp+0.23 Glu+0.17 Ser+0.11 Gly+0.15 Ala+0.16 Gln→Biomass |
| Glycolysis |
| G6P (abcdef)↔F6P (abcdef) |
| F6P (abcdef)→DHAP (cba)+GAP (def) |
| DHAP (abc)↔GAP (abc) |
| GAP (abc)↔3PG (abc) |
| 3PG (abc)→Pyr.c (abc) |
| Pyr.c (abc)↔Lac (abc) |
| Pyr.c (abc)↔Pyr.m (abc) |
| Glycerol synthesis |
| DHAP (abc)↔GLP (abc) |
| GLP (abc)→GLP.x (abc) |
| Pentose phosphate pathway |
| G6P (abcdef)→P5P (bcdef)+CO2 (a) |
| P5P (abcde)+P5P (fghij)↔S7P (abfghij)+GAP (cde) |
| S7P (abcdefg)+GAP (hij)↔F6P (abchij)+E4P (defg) |
| P5P (abcde)+E4P (fghi)↔F6P (abfghi)+GAP (cde) |
| Anaplerotic fluxes |
| Pyr.m (abc)+CO2 (d)→OAA (abcd) |
| Mal (abcd)↔Pyr.m (abc)+CO2 (d) |
| TCA Cycle |
| Pyr.m (abc)→AcCoA.m (bc)+CO2 (a) |
| AcCoA.m (ab)+OAA (cdef)→Cit (fedbac) |
| Cit (abcdef)↔AKG (abcde)+CO2 (f) |
| AKG (abcde)→Suc (bcde)+CO2 (a) |
| Suc (abcd)↔Fum (abcd) |
| Fum (abcd)↔Mal (abcd) |
| Mal (abcd)↔OAA (abcd) |
| Fatty acid synthesis |
| Cit (abcdef)→AcCoA.c (ed)+OAA (fcba) |
| AcCoA.c (ab)→FA (ab) |
| Amino acid biosynthesis |
| Pyr.m (abc)+Glu (defgh)→Ala (abc)+AKG (defgh) |
| OAA (abcd)+Glu (efghi)→Asp (abcd)+AKG (efghi) |
| 3PG (abc)+Glu (defgh)→Ser (abc)+AKG (defgh) |
| Ser (abc)↔Gly (ab)+MEETHF (c) |
| Glutamine anaplerosis |
| Gln (abcde)→Glu (abcde) |
| Glu (abcde)↔AKG (abcde) |
| Biomass production |
| P5P (abcde)→NTP (abcde) |
| MEETHF (a)→MEETHF.x (a) |
| Dilution fluxes/compartmentalization |
| Gly.p (ab)→Gly (ab) |
| Ser.p (abc)→Ser (abc) |
| P5P.dil (abcde)→P5P.mnt (abcde) |
| 0 P5P (abcde)→P5P.mnt (abcde) |
| GLP.dil (abc)→GLP.mnt (abc) |
| 0 GLP (abc)→GLP.mnt (abc) |
| Suc.dil (abcd)→Suc.mnt (abcd) |
| 0 Suc (abcd)→Suc.mnt (abcd) |
| 0 Pyr.c (abc)→Pyr.mnt (abc) |
| 0 Pyr.m (abc)→Pyr.mnt (abc) |
Suffixes indicate localization to a specific compartment: .x, extracellular; .c, cytosolic; .m, mitochondrial; .p, protein; .d, dilution; .mnt, measurement. Dilution and measurement compartments do not partake in central metabolism. Metabolites lacking a suffix are assumed to be equilibrated between compartments.→indicates irreversible reactions while↔indicates reversible reactions.