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. 2010 Oct 6;4:135. doi: 10.1186/1752-0509-4-135

Table 4.

The algorithm for the automated calculation of reaction rates (column "rate") and time derivatives for all the isotopomers (shown in left column) of pyruvate (dpyr /dt) and accoa (daccoa /dt) exemplified for pdh reaction (pyr → accoa).

reaction rate dpyr/dt daccoa/dt
000 → 00
u000= v0C000/Cpyr
D000= -u000
D00= u000
001 → 01
u001= v0C001/Cpyr
D001= -u001
D01= u001
010 → 10
u010= v0C010/Cpyr
D010= -u010
D10= u010
011 → 11
u011= v0C011/Cpyr
D011= -u011
D11= u011
100 → 00
u100= v0C100/Cpyr
D100= -u100
D00= u000+u100
101 → 01
u101= v0C101/Cpyr
D101= -u101
D01= u101+u001
110 → 10
u110= v0C110/Cpyr
D110= -u110
D10= u110+u010
111 → 11 u111= v0C111/Cpyr D111= v0-u111 D11= u111+u011