Strange violations of mass-balance
rxn05842 rxn05845 rxn05844 rxn07227 rxn05843
Each reaction is involved in the interconversion of "Phosphate" into either ADP, CDP, GDP, NDP, UDP.
The full reaction on KEGG is: RNA + Orthophosphate <=> RNA + X, where X is ADP, CDP, GDP, NDP.
Unusual "either-or" cases
rxn: 023270 and 3717[23] all endo-fenchol dehydrogenase. 232720 has an unusual metabolite cpd27638:0:0:"NAD-P-OR-NOP" with mate cpd27640:0:0:"NADH-P-OR-NOP", which seems to be the equivalent of rxn37172 and rxn37173.
rxn04701: NADPH/NADP
rxn17098: :cpd27640:0:0:"NADH-P-OR-NOP";
rxn35621: NADH
Duplicates because of ambiguous metabolites
rxn02336 and and rxn19950 duplicates, differ by S&P cpd00826:0:0:"(-)-trans-Isopiperitenol"...cpd01540:0:0:"Isopiperitenone" and cpd00826:0:0:"(-)-trans-Isopiperitenol" and cpd19023:0:0:"(-)-Isopiperitenone"
rxn16471: forms cpd21001:0:0:"Patchoulol"
rxn20955: forms cpd06598:0:0:"Patchouli alcohol"
(Both are likely the same alcohol)
rxn02344: forms cpd00874:0:0:"(3S,5S)-3,5-Diaminocaproate"
rxn19233: forms cpd22771:0:0:"(3S,5S)-3,5-diaminocaproate"
rxn01981-1:cpd00506:0:0:"gamma-Glutamylcysteine";1:cpd00084:0:0:"L-Cysteine";1:cpd01293:0:0:"5-Oxoproline"
rxn06472: -1:cpd12381:0:0:"(5-L-Glutamyl)-L-amino acid";1:cpd01293:0:0:"5-Oxoproline";1:cpd11623:0:0:"L-Amino acid"
(rxn01981 appears to be a more specific case of rxn06472, which is generic amino acid)
Identical chemistry (column E), different names (Column B)
rxn02111 & rxn15382: Duplicates of borneol:NAD+ oxidoreductase
rxn07233 rxn14240 (07233 uses free hydronium as the proton donor, 14240 uses cpd11844:0:0:"HX" as the proton donor)
rxn07231 rxn14116 (same as above)
rxn02954 rxn02955 (one uses PPi, the other uses Phosphate)
rxn25055 rxn06940 (-2:cpd27005:0:0:"ETF-Oxidized";1:cpd06710:0:0:"E-Phenylitaconyl-CoA";2:cpd27006:0:0:"ETF-Reduced" vs -2:cpd12505:0:0:"Electron-transferring flavoprotein";1:cpd06710:0:0:"E-Phenylitaconyl-CoA";2:cpd12576:0:0:"Reduced electron-transferring flavoprotein", identical biochemically)
Assessing rxn04820, rxn15643 and rxn15644 they differ in stereochemistry. Drawing structures, it would appear the diols originate on sp3 hybridized carbons and must be cis /or/ trans, and rxn04820 is a little unclear as to the nature of the product. The reaction rxn15643 and being cis (above and below the plane) and rxn15644 being trans (two forms, hydroxyl group proximal to benzyl ring above or below plane) forms each have two possible products. These are (1R,2S)-;(1S,2R)-; (1R,2R)-; (1S,2S)-; dihydronapthalene-1,2-diol.
The first paper that mentions this particular diol involves napathlene products added to rat and rabbit diets, making this a potentially relevant product for human metabolic models. Young et al's 1947 paper reports optical activity of the isolated compound (possibly compounds, in the absence of chromatography) as -154 degrees in ethanol and -328 in water. Having some difficulty determining whether or not the stereochemistry of the experimentally isolated compound, so perhaps it may make sense to account for all four stereoisomers of cpd03712.
The metabolites implicated in above also appear in the following reaction set:
rxn04821 rxn15645 rxn15646 rxn32737
Strange violations of mass-balance rxn05842 rxn05845 rxn05844 rxn07227 rxn05843 Each reaction is involved in the interconversion of "Phosphate" into either ADP, CDP, GDP, NDP, UDP.
The full reaction on KEGG is: RNA + Orthophosphate <=> RNA + X, where X is ADP, CDP, GDP, NDP.
Unusual "either-or" cases
rxn: 023270 and 3717[23] all endo-fenchol dehydrogenase. 232720 has an unusual metabolite cpd27638:0:0:"NAD-P-OR-NOP" with mate cpd27640:0:0:"NADH-P-OR-NOP", which seems to be the equivalent of rxn37172 and rxn37173. rxn04701: NADPH/NADP rxn17098: :cpd27640:0:0:"NADH-P-OR-NOP"; rxn35621: NADH
rxn19954 :cpd27640:0:0:"NADH-P-OR-NOP"; rxn19955 :cpd27640:0:0:"NADH-P-OR-NOP"; rxn19956 rxn19957 rxn26478 :cpd27640:0:0:"NADH-P-OR-NOP"; rxn26479 :cpd27640:0:0:"NADH-P-OR-NOP";
Duplicates because of ambiguous metabolites rxn02336 and and rxn19950 duplicates, differ by S&P cpd00826:0:0:"(-)-trans-Isopiperitenol"...cpd01540:0:0:"Isopiperitenone" and cpd00826:0:0:"(-)-trans-Isopiperitenol" and cpd19023:0:0:"(-)-Isopiperitenone"
rxn16471: forms cpd21001:0:0:"Patchoulol" rxn20955: forms cpd06598:0:0:"Patchouli alcohol" (Both are likely the same alcohol)
rxn02344: forms cpd00874:0:0:"(3S,5S)-3,5-Diaminocaproate" rxn19233: forms cpd22771:0:0:"(3S,5S)-3,5-diaminocaproate"
rxn01981-1:cpd00506:0:0:"gamma-Glutamylcysteine";1:cpd00084:0:0:"L-Cysteine";1:cpd01293:0:0:"5-Oxoproline" rxn06472: -1:cpd12381:0:0:"(5-L-Glutamyl)-L-amino acid";1:cpd01293:0:0:"5-Oxoproline";1:cpd11623:0:0:"L-Amino acid" (rxn01981 appears to be a more specific case of rxn06472, which is generic amino acid)
Identical chemistry (column E), different names (Column B) rxn02111 & rxn15382: Duplicates of borneol:NAD+ oxidoreductase rxn07233 rxn14240 (07233 uses free hydronium as the proton donor, 14240 uses cpd11844:0:0:"HX" as the proton donor) rxn07231 rxn14116 (same as above) rxn02954 rxn02955 (one uses PPi, the other uses Phosphate) rxn25055 rxn06940 (-2:cpd27005:0:0:"ETF-Oxidized";1:cpd06710:0:0:"E-Phenylitaconyl-CoA";2:cpd27006:0:0:"ETF-Reduced" vs -2:cpd12505:0:0:"Electron-transferring flavoprotein";1:cpd06710:0:0:"E-Phenylitaconyl-CoA";2:cpd12576:0:0:"Reduced electron-transferring flavoprotein", identical biochemically)
Assessing rxn04820, rxn15643 and rxn15644 they differ in stereochemistry. Drawing structures, it would appear the diols originate on sp3 hybridized carbons and must be cis /or/ trans, and rxn04820 is a little unclear as to the nature of the product. The reaction rxn15643 and being cis (above and below the plane) and rxn15644 being trans (two forms, hydroxyl group proximal to benzyl ring above or below plane) forms each have two possible products. These are (1R,2S)-;(1S,2R)-; (1R,2R)-; (1S,2S)-; dihydronapthalene-1,2-diol.
The first paper that mentions this particular diol involves napathlene products added to rat and rabbit diets, making this a potentially relevant product for human metabolic models. Young et al's 1947 paper reports optical activity of the isolated compound (possibly compounds, in the absence of chromatography) as -154 degrees in ethanol and -328 in water. Having some difficulty determining whether or not the stereochemistry of the experimentally isolated compound, so perhaps it may make sense to account for all four stereoisomers of cpd03712.
The metabolites implicated in above also appear in the following reaction set: rxn04821 rxn15645 rxn15646 rxn32737