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Metabolic Modeling Tutorial
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BioCyc websites down
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for maintenance.
Metabolic Modeling Tutorial
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BioCyc websites down
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for maintenance.
Metabolic Modeling Tutorial
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Escherichia coli K-12 substr. MG1655 Compound: CO2

Synonyms: carbonic anhydride, carbonic acid gas, carbon dioxide

Chemical Formula: CO2

Molecular Weight: 44.01 Daltons

Monoisotopic Molecular Weight: 43.989829244199996 Daltons

SMILES: C(=O)=O

InChI: InChI=1S/CO2/c2-1-3

InChIKey: InChIKey=CURLTUGMZLYLDI-UHFFFAOYSA-N

Unification Links: CAS:124-38-9 , ChEBI:16526 , ChemSpider:274 , HMDB:HMDB01967 , IAF1260:33506 , KEGG:C00011 , MetaboLights:MTBLC16526 , PubChem:280 , UMBBD-Compounds:c0131

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -92.26

Reactions known to consume the compound:

biotin biosynthesis from 8-amino-7-oxononanoate I :
CO2 + 7,8-diaminopelargonate + ATP → dethiobiotin + ADP + phosphate + 3 H+

Reactions known to produce the compound:

1,4-dihydroxy-2-naphthoate biosynthesis I :
isochorismate + 2-oxoglutarate + H+ → 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate + CO2

2-oxoglutarate decarboxylation to succinyl-CoA :
2-oxoglutarate + a [2-oxoglutarate dehydrogenase E2 protein] N6-lipoyl-L-lysine + H+ → a [2-oxoglutarate dehydrogenase E2 protein] N6-S-succinyldihydrolipoyl-L-lysine + CO2

8-amino-7-oxononanoate biosynthesis I :
a pimeloyl-[acp] + L-alanine + H+ → 8-amino-7-oxononanoate + CO2 + a holo-[acyl-carrier protein]
a malonyl-[acp] methyl ester + a malonyl-[acp] + H+ → a 3-oxo-glutaryl-[acp] methyl ester + CO2 + a holo-[acyl-carrier protein]
a glutaryl-[acp] methyl ester + a malonyl-[acp] + H+ → a 3-oxo-pimeloyl-[acp] methyl ester + CO2 + a holo-[acyl-carrier protein]

allantoin degradation IV (anaerobic) :
ammonium + CO2 + ATP ← carbamoyl-phosphate + ADP + 2 H+

allantoin degradation to ureidoglycolate II (ammonia producing) :
allantoate + 2 H+ + H2O → S-ureidoglycine + ammonium + CO2

aminopropylcadaverine biosynthesis , lysine degradation I :
L-lysine + H+CO2 + cadaverine

arginine degradation II (AST pathway) :
N2-succinyl-L-arginine + 2 H+ + 2 H2O → 2 ammonium + N2-succinyl-L-ornithine + CO2

arginine degradation III (arginine decarboxylase/agmatinase pathway) , arginine dependent acid resistance , putrescine biosynthesis I :
L-arginine + H+CO2 + agmatine

β-alanine biosynthesis III :
L-aspartate + H+ → β-alanine + CO2

cis-dodecenoyl biosynthesis :
a cis3-decenoyl-[acp] + a malonyl-[acp] + H+ → a 3-oxo-cis5-dodecenoyl-[acp] + a holo-[acyl-carrier protein] + CO2

cis-vaccenate biosynthesis :
a palmitoleoyl-[acp] + a malonyl-[acp] + H+ → a 3-oxo-cis-vaccenoyl-[acp] + CO2 + a holo-[acyl-carrier protein]

coenzyme A biosynthesis I :
R-4'-phosphopantothenoyl-L-cysteine + H+ → 4'-phosphopantetheine + CO2

conversion of succinate to propionate :
(R)-methylmalonyl-CoA + H+ → propanoyl-CoA + CO2

cyanate degradation :
cyanate + hydrogen carbonate + H+ → carbamate + CO2
carbamate + 2 H+ → ammonium + CO2

D-malate degradation :
(R)-malate + NAD+CO2 + pyruvate + NADH

demethylmenaquinol-8 biosynthesis I :
all-trans-octaprenyl diphosphate + 1,4-dihydroxy-2-naphthoate + H+CO2 + demethylmenaquinol-8 + diphosphate

fatty acid biosynthesis initiation I :
acetyl-CoA + a malonyl-[acp] + H+ → an acetoacetyl-[acp] + CO2 + coenzyme A

fatty acid biosynthesis initiation II , superpathway of fatty acid biosynthesis initiation (E. coli) :
a malonyl-[acp] + an acetyl-[acp] + H+ → a holo-[acyl-carrier protein] + an acetoacetyl-[acp] + CO2

fatty acid biosynthesis initiation III :
a malonyl-[acp] + an acetyl-[acp] + H+ → a holo-[acyl-carrier protein] + an acetoacetyl-[acp] + CO2
a malonyl-[acp] + H+ → an acetyl-[acp] + CO2

fatty acid elongation -- saturated :
a malonyl-[acp] + a 2,3,4-saturated fatty acyl-[acp] + H+ → a holo-[acyl-carrier protein] + a 3-oxoacyl-[acp] + CO2

formate to dimethyl sulfoxide electron transfer , formate to trimethylamine N-oxide electron transfer , nitrate reduction III (dissimilatory) :
formate[periplasmic space] + a menaquinone[inner membrane] + 2 H+CO2[periplasmic space] + a menaquinol[inner membrane] + H+[periplasmic space]

gluconeogenesis I :
(S)-malate + NADP+CO2 + pyruvate + NADPH
(S)-malate + NAD+CO2 + pyruvate + NADH
oxaloacetate + ATP → CO2 + phosphoenolpyruvate + ADP

glutamate dependent acid resistance :
L-glutamate + H+CO2 + 4-aminobutanoate

glycolate and glyoxylate degradation I :
2 glyoxylate + H+CO2 + tartronate semialdehyde

heme biosynthesis I (aerobic) :
uroporphyrinogen-III + 4 H+ → 4 CO2 + coproporphyrinogen III
coproporphyrinogen III + oxygen + 2 H+ → protoporphyrinogen IX + 2 CO2 + 2 H2O

heme biosynthesis II (anaerobic) :
uroporphyrinogen-III + 4 H+ → 4 CO2 + coproporphyrinogen III
coproporphyrinogen III + 2 S-adenosyl-L-methionine → protoporphyrinogen IX + 2 CO2 + 2 L-methionine + 2 5'-deoxyadenosine

isoleucine biosynthesis I (from threonine) :
pyruvate + 2-oxobutanoate + H+ → (S)-2-aceto-2-hydroxybutanoate + CO2

L-ascorbate degradation I (bacterial, anaerobic) , L-ascorbate degradation II (bacterial, aerobic) :
3-keto-L-gulonate 6-phosphate + H+ → L-xylulose -5-phosphate + CO2

leucine biosynthesis :
(2S)-2-isopropyl-3-oxosuccinate + H+ → 4-methyl-2-oxopentanoate + CO2

lysine biosynthesis I :
meso-diaminopimelate + H+ → L-lysine + CO2

methylerythritol phosphate pathway I , thiazole biosynthesis I (E. coli) :
pyruvate + D-glyceraldehyde 3-phosphate + H+CO2 + 1-deoxy-D-xylulose 5-phosphate

mixed acid fermentation :
formate + H+CO2 + H2
D-threo-isocitrate + NADP+ → 2-oxoglutarate + CO2 + NADPH

N10-formyl-tetrahydrofolate biosynthesis :
glycine + a tetrahydrofolate + NAD+ → a 5,10-methylene-tetrahydrofolate + ammonium + CO2 + NADH

NAD biosynthesis I (from aspartate) :
β-nicotinate D-ribonucleotide + CO2 + diphosphate ← 5-phospho-α-D-ribose 1-diphosphate + quinolinate + 2 H+

palmitate biosynthesis II (bacteria and plants) :
a dodecanoyl-[acp] + a malonyl-[acp] + H+ → a 3-oxo-myristoyl-[acp] + CO2 + a holo-[acyl-carrier protein]
a myristoyl-[acp] + a malonyl-[acp] + H+ → a 3-oxo-palmitoyl-[acp] + CO2 + a holo-[acyl-carrier protein]
a butyryl-[acp] + a malonyl-[acp] + H+ → a 3-oxo-hexanoyl-[acp] + CO2 + a holo-[acyl-carrier protein]
a hexanoyl-[acyl-carrier-protein] + a malonyl-[acp] + H+ → a 3-oxo-octanoyl-[acp] + CO2 + a holo-[acyl-carrier protein]
a decanoyl-[acp] + a malonyl-[acp] + H+ → a 3-oxo-dodecanoyl-[acp] + CO2 + a holo-[acyl-carrier protein]
an octanoyl-[acp] + a malonyl-[acp] + H+ → a 3-oxo-decanoyl-[acp] + CO2 + a holo-[acyl-carrier protein]

palmitoleate biosynthesis I :
a cis7-tetradecenoyl-[acp] + a malonyl-[acp] + H+ → a 3-oxo-cis9-hexadecenoyl-[acp] + a holo-[acyl-carrier protein] + CO2
a cis5-dodecenoyl-[acp] + a malonyl-[acp] + H+ → a 3-oxo-cis7-tetradecenoyl-[acp] + a holo-[acyl-carrier protein] + CO2

pentose phosphate pathway (oxidative branch) I :
D-gluconate 6-phosphate + NAD(P)+ → D-ribulose 5-phosphate + CO2 + NAD(P)H
D-gluconate 6-phosphate + NADP+ → D-ribulose 5-phosphate + CO2 + NADPH

phenylalanine biosynthesis I :
prephenate + H+ → 2-oxo-3-phenylpropanoate + CO2 + H2O

phosphatidylethanolamine biosynthesis I :
an L-1-phosphatidylserine + H+ → an L-1-phosphatidyl-ethanolamine + CO2

polymyxin resistance :
UDP-α-D-glucuronate + NAD+ → UDP-β-L-threo-pentapyranos-4-ulose + CO2 + NADH

putrescine biosynthesis III , superpathway of ornithine degradation :
L-ornithine + H+CO2 + putrescine

pyridoxal 5'-phosphate biosynthesis I :
pyruvate + D-glyceraldehyde 3-phosphate + H+CO2 + 1-deoxy-D-xylulose 5-phosphate
(2S)-2-amino-3-oxo-4-phosphonooxybutanoate + H+ → 3-amino-1-hydroxyacetone 1-phosphate + CO2

pyruvate decarboxylation to acetyl CoA :
pyruvate + a [pyruvate dehydrogenase E2 protein] N6-lipoyl-L-lysine + H+ → a [pyruvate dehydrogenase E2 protein] N6-S-acetyldihydrolipoyl-L-lysine + CO2

pyruvate to cytochrome bd terminal oxidase electron transfer , pyruvate to cytochrome bo oxidase electron transfer :
pyruvate + an ubiquinone[inner membrane] + H2O → CO2 + acetate + an ubiquinol[inner membrane]

spermidine biosynthesis I :
S-adenosyl-L-methionine + H+CO2 + S-adenosyl 3-(methylthio)propylamine

superpathway of glycolysis, pyruvate dehydrogenase, TCA, and glyoxylate bypass :
pyruvate + coenzyme A + NAD+ → acetyl-CoA + CO2 + NADH

superpathway of heme biosynthesis from uroporphyrinogen-III :
uroporphyrinogen-III + 4 H+ → 4 CO2 + coproporphyrinogen III
coproporphyrinogen III + oxygen + 2 H+ → protoporphyrinogen IX + 2 CO2 + 2 H2O

taurine degradation IV :
taurine + 2-oxoglutarate + oxygen → aminoacetaldehyde + sulfite + succinate + CO2 + H+

TCA cycle I (prokaryotic) :
2-oxoglutarate + coenzyme A + NAD+ → succinyl-CoA + CO2 + NADH
D-threo-isocitrate + NADP+ → 2-oxoglutarate + CO2 + NADPH

thiamin diphosphate biosynthesis I (E. coli) :
2-[(2R,5Z)-(2-carboxy-4-methylthiazol-5(2H)-ylidene]ethyl phosphate + 4-amino-2-methyl-5-diphosphomethylpyrimidine + 2 H+ → thiamin phosphate + CO2 + diphosphate

threonine degradation III (to methylglyoxal) :
2-amino-3-oxobutanoate + 2 H+ → aminoacetone + CO2

tryptophan biosynthesis :
1-(o-carboxyphenylamino)-1'-deoxyribulose 5'-phosphate + H+ → (1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate + CO2 + H2O

tyrosine biosynthesis I :
prephenate + NAD+ → 4-hydroxyphenylpyruvate + CO2 + NADH

ubiquinol-8 biosynthesis (prokaryotic) :
3-octaprenyl-4-hydroxybenzoate + H+ → 2-octaprenylphenol + CO2

UMP biosynthesis :
orotidine 5'-phosphate + H+CO2 + UMP

uracil degradation III :
carbamate + 2 H+ → ammonium + CO2

Not in pathways:
oxaloacetate + H+ → pyruvate + CO2
1-ethyladenine + 2-oxoglutarate + oxygen → adenine + CO2 + acetaldehyde + succinate
N3-methylcytosine + 2-oxoglutarate + oxygen → cytosine + CO2 + formaldehyde + succinate + H+
pyruvate + acetaldehyde + H+ → acetoin + CO2
formate + an oxidized electron acceptor + H+CO2 + a reduced electron acceptor
a methylated nucleobase within DNA + 2-oxoglutarate + oxygen → a nucleobase within DNA + CO2 + formaldehyde + succinate + H+
(S)-2-acetolactate + an oxidized electron acceptor + H+ → diacetyl + CO2 + a reduced electron acceptor
L-alanine + pimeloyl-CoA + H+CO2 + 8-amino-7-oxononanoate + coenzyme A
2-oxo-4-methylthiobutanoate + hydroxyl radical → ethylene + methanethiol + 2 CO2
N1-methyladenine + 2-oxoglutarate + oxygen → adenine + CO2 + formaldehyde + succinate
a 3-oxoacid + H+ → a methylketone + CO2
a [50S ribosomal subunit protein L16]-L-arginine81 + 2-oxoglutarate + oxygen → a [50S ribosomal subunit protein L16]-(3R)-3-hydroxy-L-arginine81 + succinate + CO2

Reactions known to both consume and produce the compound:

cyanate degradation :
hydrogen carbonate + H+CO2 + H2O

glycine cleavage :
glycine + a [glycine-cleavage complex H protein] N6-lipoyl-L-lysine + H+ ↔ a [glycine-cleavage complex H protein] N6-aminomethyldihydrolipoyl-L-lysine + CO2

valine biosynthesis :
2 pyruvate + H+ ↔ (S)-2-acetolactate + CO2

Not in pathways:
pyruvate + 2 an oxidized ferredoxin + coenzyme A ↔ acetyl-CoA + CO2 + 2 a reduced ferredoxin + H+
pyruvate + an oxidized flavodoxin + coenzyme A + H+ ↔ acetyl-CoA + CO2 + a reduced flavodoxin

In Reactions of unknown directionality:

Not in pathways:
2-oxoglutarate + SucB-lipoate = SucB-S-succinyldihydrolipoate + CO2
oxalyl-CoA + H+ = CO2 + formyl-CoA
formate + an oxidized hydrogenase 3 = CO2 + a reduced hydrogenase 3 + H+
pyruvate + thiamin diphosphate + H+ = 2-(α-hydroxyethyl)thiamine diphosphate + CO2
oxalosuccinate + H+ = 2-oxoglutarate + CO2
pyruvate + lipoamide + H+ = S-acetyldihydrolipoamide + CO2
an acyl-[acyl-carrier protein] + a malonyl-[acp] + H+ = a 3-oxoacyl-[acp] + CO2 + a holo-[acyl-carrier protein]

In Transport reactions:
CO2[periplasmic space]CO2[cytosol]

In Redox half-reactions:
acetate[in] + CO2[in] + 2 H+[in] + 2 e- → pyruvate[in] + H2O[in] ,
CO2[out] + H+[out] + 2 e- → formate[out]


Report Errors or Provide Feedback
Please cite the following article in publications resulting from the use of EcoCyc: Nucleic Acids Research 41:D605-12 2013
Page generated by SRI International Pathway Tools version 18.5 on Fri Dec 19, 2014, BIOCYC14B.