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Duplicates in beta-oxidation reactions #978

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ina999111 opened this issue Feb 17, 2025 · 0 comments
Open

Duplicates in beta-oxidation reactions #978

ina999111 opened this issue Feb 17, 2025 · 0 comments

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@ina999111
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There are already multiple issues on the subject of duplicate reactions in beta-oxidation (for example issues #802, #800, #799).
I have found a few additional cases:

Formula Low resolution Medium resolution (1 reaction/beta-oxidation cycle) High resolution Notes
pentadecanoyl-CoA complete degradation in mitochondria MAR00755 MAR05185 + MAR05110 + MAR05030 + MAR06347 + MAR06319 + MAR05988 MAR03182 + MAR03183 + MAR03184 + MAR03185 + MAR03186 + MAR03187 + MAR03188 + MAR03189 + MAR03190 + MAR03191 + MAR03192 + MAR03193 + MAR03194 + MAR03195 + MAR03196 + MAR03197 + MAR03198 + MAR03199 + MAR03200 + MAR03201 + MAR03202 + MAR03203 + MAR03204 + MAR03205  
palmitoleoyl-CoA to octanoyl-CoA in mitochondria MAR00772 MAR05188 + MAR05111 + MAR05044 + MAR03298 + MAR04967 MAR03250 + MAR03252 + MAR03254 + MAR03256 + MAR03258 + MAR03260 + MAR03262 + MAR03264 + MAR03272 + MAR03136 + MAR03137 + MAR03139 + MAR03142 + MAR03143 + MAR03144 + MAR03146 Additional reactions combining 1st and 2nd steps of a given beta oxidation cycle: MAR05190 + MAR05120 + MAR05019
11-Octadecenoyl Coenzyme A to octanoyl-CoA in mitochondria MAR00780 MAR05345 + reactions for MAR00772 N/A for the first cycle (MAR05345). After 1st cycle = same as MAR00772  
oleoyl-CoA to octanoyl-CoA in mitochondria MAR00784 N/A MAR03226 + MAR03227 + MAR03228 + MAR03229 + MAR03230 + MAR03231 + MAR03232 + MAR03233 + MAR03234 + MAR03235 + MAR03236 + MAR03237 + MAR03239 + MAR03136 + MAR03137 + MAR03139 + MAR03142 + MAR03143 + MAR03144 + MAR03146  
heptadecanoyl-CoA to propanoyl-CoA in mitochondria MAR00774 MAR05343 + reactions for MAR00755 MAR03178 + MAR03179 + MAR03180 + MAR03181 + reactions for MAR00755 MAR11744 is a duplicate of MAR03178 that produces Trans-Delta-2-Heptadecanoyl Coenzyme A (MAM03683m) instead of (2E)-heptadecenoyl-CoA (MAM00046m)
(9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA complete degradation in peroxisome MAR03055 MAR00977 + MAR00952 which produces arachidonyl-CoA. N/A The steps from arachidonyl-CoA onward are discussed in issue #769
palmitoyl-CoA to octanoyl-CoA in peroxisome MAR00759 MAR05327 + MAR05180 + MAR05097 + MAR05025 MAR03078 + MAR03079 + MAR03080 + MAR03081 + MAR03082 + MAR03083 + MAR03084 + MAR03085 + MAR03086 + MAR03087 + MAR03088 + MAR03089 + MAR03090 + MAR03091 + MAR03092 + MAR03093  
gamma-linolenoyl-CoA to octanoyl-CoA in peroxisome MAR00800 N/A MAR03466 + MAR03467 + MAR03468 + MAR03469 + MAR03470 + MAR03471 + MAR03472 + MAR03307 + MAR03309 + MAR03310 + MAR03311 + MAR03312 + MAR03314 + MAR03315 + MAR03316 + MAR03317 + MAR03319 + MAR03320 + MAR04966 + MAR04974 + MAR03323 + MAR03091 + MAR03092 + MAR03093 MAR03312, MAR03317 and MAR03091 describe the hydration step of the beta-oxidation and should not have ECI1/2 in their GPR rules. MAR03316 and MAR03323 describe the action of enoyl isomerase and should not have HADHA  and  EHHADH in their GRP rules.
(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA to octanoyl-CoA in peroxisome MAR00833 MAR05366 + MAR05300 + MAR05321 + MAR05309 + MAR05256 + MAR05178 + MAR05093 + MAR05086 + MAR04981 + MAR05017 + MAR04991 + MAR04987 + MAR06322 + MAR06282 + MAR06280 N/A The low-resolution reaction describes 5 beta-oxidation cycles to get from (6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA to octanoyl-CoA, but 5 beta-oxidation cycles would yield 5-octenoyl-CoA (correct in the medium-resolution reactions).
tetracosanoyl-CoA to eicosanoyl-CoA in peroxisome MAR00974 MAR05431 + MAR05421 MAR03062 + MAR03063 + MAR03064 + MAR03065 + MAR03066 + MAR03067 + MAR03068 + MAR03069  
(15Z)-tetracosenoyl-CoA to oleoyl-CoA in peroxisome MAR00975 MAR05428 + MAR05377 + MAR05372 MAR03330 + MAR03331 + MAR03332 + MAR03333 + MAR03334 + MAR03335 + MAR03336 + MAR03337 + MAR03338 + MAR03339 + MAR03340 + MAR03341 Medium-resolution reactions result in oleoyl-coa, whereas high definition reactions result in 9-octadecenoyl coenzyme A , but they are the same metabolite.

I suggest removing the low and medium resolution reactions when high resolution reactions are available. I have also flagged a few duplicate reactions/metabolites and some potential mistakes in GPR rules in the note column.

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