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Table 6 Top thirty Reporter Metabolites calculated from various perturbations. The Reporter Metabolite algorithm was performed with iIN800 and iFF708.

From: The genome-scale metabolic model iIN800 of Saccharomyces cerevisiae and its validation: a scaffold to query lipid metabolism

Oxidative phase1

Reductive building phase1

Reductive charging Phase1

iIN800

iFF708

iIN800

iFF708

iIN800

iFF708

AMP

IMP

AMPM

AMPM

Dodecanoyl-CoA*

Acyl-CoA

IMP

Xanthosine 5'-phosphate

PyrophosphateM

tRNAM

Decanoyl-CoA*

alpha,alpha-Trehalose

Pyrophosphate

L-Methionine

ATPM

PyrophosphateM

Trans-3-C16-CoA*

Glycogen

L-Methionine

5-Phospho-alpha-D-ribose 1-PP

tRNAM

Porphobilinogen

Trans-3-C18-CoA*

alpha,alpha'-Trehalose 6-phosphate

Xanthosine 5'-phosphate

L-Aspartate

H+M

L-TryptophanM

Trans-3-C14-CoA*

alpha-D-Glucose

ATP

Sulfate

NADHM

L-Tryptophanyl-tRNA(Trp)M

alpha,alpha-Trehalose

Oxalosuccinate

5-Phospho-alpha-D-ribose 1-PP

Homocysteine

Porphobilinogen

Dolichyl beta-D-mannosyl-P

Glycogen

3-Oxoacyl-CoA

L-Serine

AMP

Dolichyl beta-D-mannosyl-P

Mannan

alpha,alpha'-Trehalose 6-phosphate

a Long-chain carboxylic acid

L-Aspartate

H+EXT

L-Tryptophanyl-tRNA(Trp)M

Xanthine

Oxalosuccinate

Carnitine

H+EXT

3-Phosphonooxypyruvate

Mannan

L-Asparaginyl-tRNA(Asn)M

Trans-2-C14-CoA*

alpha-D-Glucose 6-phosphate

Homocysteine

N6-(L-1,3-Dicarboxypropyl)-L-lysine

tRNA(Ile)M*

H+M

Trans-2-C16-CoA*

UDPglucose

Sulfate

5,10-Methylenetetrahydrofolate

L-Isoleucyl-tRNA(Ile)M*

Dolichyl phosphate

Trans-2-C18-CoA*

Isocitrate

L-Glutamine

Aminoimidazole ribotide

tRNA(Thr)M*

all-trans-Nonaprenyl-PP

3-keto-Dodecanoyl-CoA*

D-Glucose 1-phosphate

L-Cysteine

L-Cystathionine

L-Threonyl-tRNA(Thr)M*

NADHM

3-keto-Decanoyl-CoA*

CoAM

L-Asparagine

L-Serine

Xanthine

ATPM

3-keto-Octanoyl-CoA*

Acetyl-CoAM

S-Adenosyl-L-methionine

Uracil

Dolichyl phosphate

D-Mannose 6-phosphate

3-keto-Hexanoyl-CoA*

CoA

Uracil

Sulfite

all-trans-Nonaprenyl-PP

UbiquinolM

3-keto-Butanoyl-CoA*

O-Acetylcarnitine

5,10-Methylenetetrahydrofolate

5-amino-4-imidazolecarboxylate

L-Asparaginyl-tRNA(Asn)M

Ubiquinone-9M

Dodecanoic_acid*

Succinate

3-Phosphonooxypyruvate

2-Hydroxybutane-1,2,4-tricarboxylate

tRNA(Phe)M*

CO2M

Carnitine

(S)-3-Hydroxy-3-methylglutaryl-CoA

N6-(L-1,3-Dicarboxypropyl)-L-lysine

S-Adenosyl-L-methionine

L-Phenylalanyl-tRNA(Phe)M*

Guanosine

alpha-D-Glucose

NAD+

L-Cystathionine

L-Asparagine

Intermediate_Methylzymosterol_II

IsocitrateM

Trans-2-4-diene-CoA*

H2O2

NH3

5-Phosphoribosylamine

Intermediate_Zymosterol_II

GTPM

Isocitrate

Malate

tRNA(Phe)*

GlycineM

UbiquinolM

GDPM

alpha-D-Glucose 6-phosphate

Maltose

L-Phenylalanyl-tRNA(Phe)*

Guanine

D-Mannose 6-phosphate

ITPM

UDPglucose

(3S)-3-Hydroxyacyl-CoA

Tetrahydrofolate

L-Histidine

Ubiquinone-9M

IDPM

D-Glucose 1-phosphate

GLCxt

Guanine

N1-(5'-phosphoribosyl)acetamidine

tRNA(Asp)M*

ITP

O-Acetylcarnitine

Glycerone phosphate

Sulfite

Tetrahydrofolate

L-Aspartyl-tRNA(Asp)M*

IDP

Tetradecanoyl-CoA*

O-AcetylcarnitineM

L-Histidine

alpha-D-Glutamyl phosphate

tRNA(Pro)M*

Phosphatidate

Decanoic_acid*

CarnitineM

5-amino-4-imidazolecarboxylate

HomoisocitrateM

L-Prolinyl-tRNA(Pro)M*

C100ACPm

(S)-3-Hydroxy-3-methylglutaryl-CoA

D-Galactose

GlycineM

GMP

Pyrophosphate

Dodecanoyl-ACPM

H2O2

SuccinateM

* Metabolite is contained in iIN800 only

1 = data from Tu, B. P., A. Kudlicki, et al. (2005)

Carbon- and Nitrogen-limited 2

Aerobic and Anaerobic 2

Temperature(30°C and 15°C) 3

iIN800

iFF708

iIN800

iFF708

iIN800

iFF708

Glyoxylate

Glyoxylate

Oxygen

Ferricytochrome cM

IMP

IMP

GLUxt

L-Phenylalanine

Ferricytochrome cM

Ferrocytochrome cM

Tetrahydrofolate

Tetrahydrofolate

Isocitrate

GLUxt

Ferrocytochrome cM

Ubiquinone-9M

alpha,alpha-Trehalose

alpha,alpha-Trehalose

ALAxt

Isocitrate

Ubiquinone-9M

Oxygen

Hexadecanoyl-9-ene-CoA*

D-Erythrose 4-phosphate

Malate

ALAxt

UbiquinolM

UbiquinolM

Octadecanoyl-9-ene-CoA*

L-OrnithineM

Allantoate

Allantoate

ADPM

ADPM

Tetradecanoyl-9-ene-CoA*

Xanthosine 5'-phosphate

SERxt

Malate

H+M

H+M

D-Erythrose 4-phosphate

N6-(L-1,3-Dicarboxypropyl)-L-lysine

L-Alanine

L-Alanine

Dodecanoyl-CoA*

FADH2M

L-OrnithineM

NADH

Decanoyl-CoA*

SERxt

FumarateM

FumarateM

Xanthosine 5'-phosphate

URIxt

ASNxt

ASNxt

OrthophosphateM

OrthophosphateM

N6-(L-1,3-Dicarboxypropyl)-L-lysine

1-Phosphatidyl-1D-myo-inositol 4-P

GLNxt

GLNxt

FADH2M

Sphinganine 1-phosphate

URIxt

Homocysteine

ILExt

ILExt

Hexadecanoyl-9-ene-CoA*

ATPM

Homocysteine

1-Phosphatidyl-D-myo-inositol 4,5-PP

VALxt

VALxt

Octadecanoyl-9-ene-CoA*

Fumarate

Octadecanoyl-CoA

N-Acetyl-L-glutamateM

Trans-2-C161-CoA*

Ferricytochrome cM

Tetradecanoyl-9-ene-CoA*

Glyoxylate

N-Acetyl-L-glutamateM

Dihydrofolate

Trans-2-C181-CoA*

Ferrocytochrome cM

Sphinganine 1-phosphate

Isocitrate

Dihydrofolate

N2-Acetyl-L-ornithineM

Trans-2-C141-CoA*

PHExt

Phytosphingosine 1-phosphate

ERGOSTxt

N2-Acetyl-L-ornithineM

Anthranilate

PHExt

L-Asparagine

Tetradecanoyl-Co

ZYMSTxt

Anthranilate

S-Adenosyl-L-homocysteine

Ferricytochrome cM

Allantoin

Fumarate

NAD+

Hexadecanoyl-9-ene_acid*

UREAxt

Ferrocytochrome cM

LEUxt

Trans-2-C161-CoA*

FADM

Octadecanoyl-9-ene_acid*

L-Aspartate

FRUxt

FRUxt

Trans-2-C181-CoA*

6-Phospho-D-gluconate

S-Adenosyl-L-homocysteine

N(pai)-Methyl-L-histidine

Allantoin

Succinate

Trans-2-C141-CoA*

1,3-Diaminopropane

NADH

Adenosine 3',5'-bisphosphate

LEUxt

HISxt

Glyoxylate

sn-Glycerol 3-phosphate

UREAxt

4-imidazolecarboxylate

Succinate

TYRxt

sn-Glycerol 3-phosphate

O-Acetylcarnitine

L-Aspartate

3-Methyl-2-oxobutanoateM

HISxt

METxt

Isocitrate

Ethanol

1-Phosphatidyl-D-myo-inositol-3-P

Tetrahydrofolyl-[Glu](n)

Dodecanoyl-CoA*

GLYxt

ERGOSTxt

DIPEPxt

N(pai)-Methyl-L-histidine

2-Phenylacetamide

PROxt

ASPxt

ZYMSTxt

Dipeptide

Adenosine 3',5'-bisphosphate

Phenylacetic acid

alpha-D-Mannose

GLCxt

1,3-Diaminopropane

OPEPxt

L-Asparagine

Indole-3-acetamide

Trans-3-C16-CoA*

L-Tyrosine

6-Phospho-D-gluconate

Oligopeptide

C24-CoA*

Indole-3-acetate

Trans-3-C18-CoA*

PROxt

H2O2

PEPTxt

1-(5-Phospho-D-ribosyl)-5-amino

Urea-1-carboxylate

Trans-3-C14-CoA*

alpha-D-Mannose

Trans-3-C16-CoA*

Sphinganine

3-Methyl-2-oxobutanoateM

PhosphatidylserineM

  1. * Metabolite is contained in iIN800 only
  2. 2 = Tai, S. L., V. M. Boer, et al. (2005)
  3. 3 = Pizarro, F., M.C. Jewett, et al. (2008)