Blood medium (Blood)

The Blood medium (Blood) definition was obtained from Nantia Leonidou, one of the authors of the paper ‘New workflow predicts drug targets against sars-cov-2 via metabolic changes in infected cells’[1] where the Blood medium composition from Table 3 was already used.

Table 3 Blood composition

name	flux	source
(13Z)-13-Docosenoic acid [Erucic acid]	0.007164	Erucic acid
(15Z)-Tetracosenoate [Nervonate]	0.0260005	Nervonic acid
(20S)-20-Hydroxypregn-4-en-3-one [20alpha-Hydroxyprogesterone]	2.91e-05	20a-Dihydroprogesterone
(2E)-But-2-enedioate [Fumarate]	0.0015	Fumaric acid
(4R)-1-Methyl-4-(prop-1-en-2-yl)cyclohex-1-ene [D-Limonene]	0.00019	D-Limonene
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoate [Cervonic acid]	0.105618962173913	Docosahexaenoic acid
(7Z,10Z,13Z,16Z)-Docosatetraenoate [Adrenic acid]	0.00407275	Adrenic acid
(R)-3-Hydroxybutanoate [(R)-3-Hydroxybutyric acid]	0.0533333333333333	(R)-3-Hydroxybutyric acid
(S)-3-Methyl-2-oxopentanoate [3-Methyl-2-Oxovaleric acid]	0.02035	3-Methyl-2-Oxovaleric Acid
1-Methylnicotinamide	0.00043	1-Methylnicotinamide
1-Methyl-4-imidazoleacetic acid	84.57	Methylimidazoleacetic acid
2 Hydroxybutyrate [2-Hydroxybutyric acid]	0.024225	2-Hydroxybutyric acid
2,3-Cyclic GMP [Cyclic GMP]	5.5e-06	Cyclic GMP
2-Methylcitrate [2-Methylcitric acid]	7.95e-05	2-Methylcitric acid
2-Oxidopropane-1,2,3-tricarboxylate [Citrate]	0.1089	Citric acid
2-Oxoglutarate [Oxoglutaric acid]	0.00795	Oxoglutaric acid
25-Hydroxyvitamin D2	1.2475e-05	25-Hydroxyvitamin D2
3,4-Dihydroxyphenylethyleneglycol [3,4-Dihydroxyphenylglycol]	6e-06	3,4-Dihydroxyphenylglycol
3,5-Cyclic GMP [Cyclic GMP]	5.5e-06	Cyclic GMP
3-(4-Hydroxyphenyl)pyruvate [4-Hydroxyphenylpyruvic acid]	0.00037	4-Hydroxyphenylpyruvic acid
3-Hydroxyhexadecanoylcarnithine	5e-06	3-Hydroxyhexadecanoylcarnitine
3-Methyl-2-oxobutanoate [alpha-Ketoisovaleric acid]	11.0	alpha-Ketoisovaleric acid
3-[(2R)-2,4-Dihydroxy-3,3-dimethylbutanamido]propanoate [Pantothenate]	0.00269	Pantothenic acid
4,5-Bis(hydroxymethyl)-2-methylpyridin-3-ol [Pyridoxine]	2.5e-05	Pyridoxine
4-(Azaniumylmethyl)-3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-1-ium [Pyridoxamine]	0.000164	Pyridoxamine
4-Aminobutanoate [gamma-Aminobutyric acid]	0.00011	gamma-Aminobutyric acid
4-Formyl-3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-1-ium [Pyridoxal]	0.000251	Pyridoxal
4-Hydroxydebrisoquin	0.000217	4-Hydroxydebrisoquine
4-Hydroxyphenylacetate [p-Hydroxyphenylacetic acid]	0.0098814444444444	p-Hydroxyphenylacetic acid
4-Methyl-2-oxopentanoate [Ketoleucine]	0.0265	Ketoleucine
4-Pyridoxate	20.95	4-Pyridoxic acid
5,6,7,8-Tetrahydrofolate [Tetrahydrofolic acid]	2.5e-06	Tetrahydrofolic acid
5-(1,2-Dithiolan-3-yl)pentanoate [Lipoate]	7.7e-05	(R)-lipoic acid
5-Adenylic acid [AMP]	0.019075	Adenosine monophosphate
5-Formyltetrahydrofolate	2.5e-06	Folinic acid
5-Guanylic acid [GMP]	9.7e-06	Guanosine monophosphate
5-Hydroxy-L-tryptophan	1.8e-05	5-Hydroxy-L-tryptophan
5-Methyltetrahydrofolate [5-Methyltetrahydrofolic acid]	0.0003	5-Methyltetrahydrofolic acid
5-Oxoproline [Pyroglutamic acid]	0.0195	Pyroglutamic acid
5-Phospho-alpha-D-ribose 1-diphosphate [Phosphoribosyl pyrophosphate]	0.0049	Phosphoribosyl pyrophosphate
5-Uridylic acid [UMP]	184.0	Uridine 5-monophosphate
5-beta-Dihydrotestosterone	1.7175e-06	Dihydrotestosterone
7,8-Dihydrofolate [Dihydrofolic acid]	5e-06	Dihydrofolic acid
9-cis-Retinol	0.0024199295081967	Vitamin A
ADP	0.16	ADP
ATP [Adenosine triphosphate]	2.03133333333333	Adenosine triphosphate
Acetaldehyde	1.0	Acetaldehyde
Acetate [Acetic acid]	0.04206	Acetic acid
Acetoacetate [Acetoacetic acid]	0.0248375	Acetoacetic acid
Acetone	0.0537833333333333	Acetone
Adenine	0.00047	Adenine
Adenosine	0.0011670833333333	Adenosine
Ammonia	27.0	Ammonia
Androsterone	6.0325e-05	Androsterone
Androsterone 3-glucosiduronic acid	0.000437075	Androsterone glucuronide
Anthranilate [2-Aminobenzoic acid]	1.55e-05	2-Aminobenzoic acid
Arachidic acid	0.0072778	Arachidic acid
Arachidonate	0.171059889655172	Arachidonic acid
Behenate [Docosanoate]	0.010951	Behenic acid
Benzoate [Benzoic acid]	0.020784625	Benzoic acid
Billirubin	0.0078472857142857	Bilirubin
Biotin	37.89	Biotin
Butyrate	1.0	Butyric acid
Butyryl carnitine	0.0001995	Butyrylcarnitine
CAMP [Cyclic AMP]	8.5e-06	Cyclic AMP
CDP	36.0	CDP
Calcidiol [25-Hydroxyvitamin D3]	6.75785714285714e-05	Calcidiol
Calciol [Vitamin D3]	4.10333333333333e-05	Vitamin D3
Calcium(II) cation [Ca(2+)]	2.102375	Calcium
Carbon dioxide [CO2]	23.05	Carbon dioxide
Carbon monoxide	72.0	Carbon monoxide
Hydrogencarbonate	23.54	Hydrogen carbonate
Chenodeoxycholate [Chenodeoxycholic acid]	0.001165	Chenodeoxycholic acid
Chloride [Cl(-)]	100.85	Chloride ion
Cholate [Cholic acid]	0.00072	Cholic acid
Choline	0.00932	Choline
Cholesterol	2.1793258125	Cholesterol
Corticosterone	2.7e-05	Corticosterone
Cortisol	0.0002554285714285	Cortisol
Creatine	0.0464842857142857	Creatine
Cyanate	4.5e-05	Cyanate
Cys Gly [Cysteinylglycine]	0.0441666666666667	Cysteinylglycine
Cytidine	0.000175	Cytidine
Cytosine	0.0064	Cytosine
D-Alanine	0.44675	D-Alanine
D-Fructose	0.0395	D-Fructose
D-Galactose	0.06365	D-Galactose
D-Lactate [D-Lactic acid]	0.00913	D-Lactic acid
D-Mannose	0.0515	D-Mannose
D-Ornithine	61.0	Ornithine
D-Ribose	0.0023	D-Ribose
D-Serine	0.0025866666666666	D-Serine
D-Sorbitol [Sorbitol]	0.007045	Sorbitol
D-Xylose	2.4431	D-Xylose
Debrisoquine	0.000149	Debrisoquine
Decanoate	11.0	Capric acid
Decanoyl carnitine	0.0002101666666666	Decanoylcarnitine
Dehydroascorbate [Dehydroascorbic acid]	0.005772	Dehydroascorbic acid
Dehydroepiandrosterone sulfate	0.0024675	Dehydroepiandrosterone sulfate
Deoxycholate [Deoxycholic acid]	0.00045	Deoxycholic acid
Deoxycytidine	0.0002	Deoxycytidine
Deoxyuridine	0.000213	Deoxyuridine
Dihydroxyacetone phosphate	0.0156	Dihydroxyacetone phosphate
Dioxygen [O2]	6.36	Oxygen
Diphosphate [Pyrophosphate]	0.0018	Pyrophosphate
Dodecanoate	0.00582225	Dodecanoic acid
Dopamine 3-O-sulfate	2.65e-05	Dopamine 3-O-sulfate
Ergocalciferol [Vitamin D2]	2.75e-06	Ergocalciferol
Estrone 3-sulfate	2.32833333333333e-06	Estrone sulfate
Ethanol	0.0183333333333333	Ethanol
FMN [Flavin Mononucleotide]	7.95e-06	Flavin Mononucleotide
Flavin adenine dinucleotide oxidized [FAD]	6.8e-05	FAD
Formaldehyde	0.0133	Formaldehyde
Formate [Formic acid]	0.0868733333333333	Formic acid
GDP [Guanosine diphosphate]	0.0165	Guanosine diphosphate
GTP [Guanosine triphosphate]	56.0	Guanosine triphosphate
Globoside [*]	0.0015	Tetrahexosylceramide (d18:1/12:0)
Glucosamine	0.00029	Glucosamine
Glucuronate [D-Glucuronic acid]	165.0	D-Glucuronic acid
Glycerol	0.147266666666667	Glycerol
Glycerol 3-phosphate	0.03	Glycerol 3-phosphate
Glycine	0.241736363636364	Glycine
Glycine betaine [Betaine]	0.04567	Betaine
Glycochenodeoxycholate	6e-05	Chenodeoxycholic acid glycine conjugate
Glycocholate	6e-05	Glycocholic acid
Glycolithocolate [Lithocholic acid glycine conjugate]	9e-06	Lithocholic acid glycine conjugate
Glycoursodeoxycholate [Glycoursodeoxycholic acid]	0.00019	Glycoursodeoxycholic acid
Guanosine	0.0008	Guanosine
Hexacosanoate	0.00047	Hexacosanoic acid
Hexadecanoate [Palmitic acid]	0.520931074074074	Palmitic acid
Hexadecenoate	0.050230695	Palmitoleic acid
Hyaluronate beta1	5.3e-05	Hyaluronic acid
Hydrogen [H(+)]	3.98107170553497e-05	Protons
Hydrogen peroxide	0.0105	Hydrogen peroxide
Hydrogen sulfide	0.0376	Hydrogen sulfide
Hypoxanthine	0.0059921428571428	Hypoxanthine
IMP [Inosinic acid]	63.0	Inosinic acid
Inosine	0.00129	Inosine
Iron(II) cation [Fe(2+)]	8922.0	Fe2+
Isovaleryl carnitine	0.000138	Isovaleryl Carnitine
L Arabinitol [L-Arabitol]	2.0	L-Arabitol
L-Cystine	0.10118	L-Cystine
L-3-Amino-isobutanoate [(S)-b-Aminoisobutyric acid]	0.00103	(S)-b-aminoisobutyric acid
L-Alanine	0.3847625	L-Alanine
L-Arabinose	0.0025	L-Arabinose
L-Arginine	0.09366625	L-Arginine
L-Ascorbate [Ascorbic acid]	0.0361379	Ascorbic acid
L-Asparagine	0.0473777777777778	L-Asparagine
L-Aspartate	0.015232	L-Aspartic acid
L-Carnitine	0.0354711111111111	L-Carnitine
L-Carnosine	0.00327	Carnosine
L-Citrulline [Citrulline]	0.0294222222222222	Citrulline
L-Cysteine	0.120988333333333	L-Cysteine
L-Dopa [3,4-Dihydroxy-L-phenylalanine]	7.23e-06	L-Dopa
L-Glutamate	0.057029	L-Glutamic acid
L-Glutamine	0.564136363636364	L-Glutamine
L-Glycerate	2.0	L-Glyceric acid
L-Histidine	0.124895882352941	L-Histidine
L-Homoserine	12.0	L-Homoserine
L-Isoleucine	0.06335	L-Isoleucine
L-Lactate [L-Lactic acid]	1.97934285714286	L-Lactic acid
L-Leucine	0.13608	L-Leucine
L-Lysine	0.191545454545455	L-Lysine
L-Malate [L-Malic acid]	0.0076	L-Malic acid
L-Metanephrine	1.6e-06	Metanephrine
L-Methionine	0.486815384615385	L-Methionine
L-Ornithine	61.0	Ornithine
L-Phenylalanine	0.06845	L-Phenylalanine
L-Proline	0.177728571428571	L-Proline
L-Serine	0.124866666666667	L-Serine
L-Sorbitol [Sorbitol]	0.007045	Sorbitol
L-Threonine	0.140433333333333	L-Threonine
L-Thyroxine	4.998375e-06	Thyroxine
L-Tryptophan	0.05829	L-Tryptophan
L-Tyrosine	0.0752272727272727	L-Tyrosine
L-Valine	0.216933333333333	L-Valine
L-gamma-Glutamyl-L-cysteinylglycine [Glutathione]	0.17101476	Glutathione
Linoleic acid	0.637224432258065	Linoleic acid
Lithocholate [Lithocholic acid]	0.00033	Lithocholic acid
Margarate [Heptadecanoate]	0.266618	Heptadecanoic acid
Methanol	0.163525	Methanol
Methylglyoxal [Pyruvaldehyde]	0.055295	Pyruvaldehyde
Myo-inositol	0.023525	myo-Inositol
N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid [Folate]	2.33333333333333e-05	Folic acid
N2-phenylacetyl-L-glutaminate	0.00334	Alpha-N-Phenylacetyl-L-glutamine
Niacinamide	0.000235	Niacinamide
Nicotinamide adenine dinucleotide [NAD]	0.0243	NAD
Nicotinamide adenine dinucleotide phosphate [NADP]	0.0196	NADP
Nitrite	0.0242925	Nitrite
Norepinephrine	2.8125e-06	Norepinephrine
Norepinephrine sulfate	8e-06	Norepinephrine sulfate
Octadecanoate [Stearic acid]	0.2860335535	Stearic acid
Octadecenoate [Oleic acid]	0.29180212	Oleic acid
Octanoate [Caprylic acid]	0.00525	Caprylic acid
Octanoyl carnitine [L-Octanoylcarnitine]	0.0001801666666666	L-Octanoylcarnitine
Octenoyl carnitine	0.0002	2-Octenoylcarnitine
Oleate	0.1	Elaidic acid
Orotate [Orotic acid]	0.002945	Orotic acid
Oxalate	0.01029	Oxalic acid
Oxidized glutathione	0.010825	Oxidized glutathione
Pentadecanoate	0.100780833333333	Pentadecanoic acid
Phosphate [PO4(3-)]	0.73955	Phosphate
Phylloquinone [Vitamin K1]	1.535	Vitamin K1
Phytanate	0.00301	Phytanic acid
Potassium(I) cation [K(+)]	3.65714285714286	Potassium
Progesterone	4.1172e-05	Progesterone
Propionate	0.0009	Propionic acid
Putrescine	0.000108	Putrescine
Pyridine-3-carboxylate [Niacin]	0.05115	Nicotinic acid
Pyridoxal 5-phosphate	2.86760888888889e-05	Pyridoxal 5-phosphate
Pyruvate [Pyruvic acid]	0.0553125	Pyruvic acid
Retinoate [all-trans-Retinoic acid]	0.00010725	All-trans-retinoic acid
Retinoyl glucuronide	6.6e-06	Retinoyl b-glucuronide
Ribitol	0.00046	Ribitol
Riboflavin	0.000215	Riboflavin
Sarcosine	0.0004666666666666	Sarcosine
Serotonin	0.000654	Serotonin
Sodium(I) cation [Na(+)]	137.533333333333	Sodium
Spermidine	0.0047425	Spermidine
Spermine	0.0033833333333333	Spermine
Sphinganine 1-phosphate	5.5e-05	Sphinganine 1-phosphate
Sphingosine 1-phosphate	0.000278	Sphingosine 1-phosphate
Succinate [Succinic acid]	0.0136	Succinic acid
Sucrose	0.0018	Sucrose
Sulfate [SO4(2-)]	0.35275	Sulfate
Sulfite	0.00123	Sulfite
Sulfoglycolithocholate	6e-05	Sulfolithocholylglycine
Taurine	0.0870909090909091	Taurine
Taurochenodeoxycholate [Taurochenodesoxycholic acid]	0.0003	Taurochenodesoxycholic acid
Taurocholic acid	0.00038	Taurocholic acid
Taurodeoxycholate [Taurodeoxycholic acid]	6.2e-05	Taurodeoxycholic acid
Taurolithocholate [Lithocholyltaurine]	0.001212	Lithocholyltaurine
Testosterone	7.275	Testosterone
Tetracosanoate [Lignocerate]	0.0059583333333333	Tetracosanoic acid
Tetradecanoate	0.0226672857142857	Myristic acid
Thiamine	8.86666666666667e-05	Thiamine
Thiocyanate	0.03183	Thiocyanate
Thiosulfate	0.05115	Thiosulfate
Thromboxane-b2 [Thromboxane B2]	0.0001472121	Thromboxane B2
Thymidine	0.0001366666666666	Thymidine
UDP [Uridine 5-diphosphate]	41.0	Uridine 5-diphosphate
UDPglucose [Uridine diphosphate glucose]	155.0	Uridine diphosphate glucose
Ubiquinone-10	3.12e-06	Ubiquinone-10
Uracil	0.001135	Uracil
Urate	0.2632195625	Uric acid
Urea	4.72292	Urea
Uridine	0.0091066666666666	Uridine
Ursodeoxycholate [Ursodeoxycholic acid]	0.00016	Ursodeoxycholic acid
Water [H2O]	55000.0	Water
Xanthurenic acid	2.2e-05	Xanthurenic acid
Xylitol [D-Xylitol]	0.000677	D-Xylitol
all-cis-5,8,11,14,17-Icosapentaenoate	0.143446279130435	Eicosapentaenoic acid
all-cis-8,11,14,17-Icosatetraenoic acid [ETA]	7e-06	Cis-8,11,14,17-Eicosatetraenoic acid
all-cis-Icosa-8,11,14-trienoic acid [Dihomo-gamma-linolenic acid]	0.0466641666666667	8,11,14-Eicosatrienoic acid
all-cis-Octadeca-6,9,12,15-tetraenoic acid [Stearidonic acid]	0.000212	Stearidonic acid
all-trans-Retinal [Retinal]	0.000155	Retinal
all-trans-Retinol [Vitamin A]	0.0024199295081967	Vitamin A
alpha-Linolenate	0.0286517555555556	Alpha-Linolenic acid
alpha-Tocopherol	0.0338456388235294	Alpha-Tocopherol
alpha-Tocotrienol	0.00423	Alpha-Tocotrienol
beta-Alanine	0.002635	beta-Alanine
beta-Carotene [b-Carotene]	0.0382245952380952	B-Carotene
beta-Tocopherol	0.0002	Beta-tocopherol
gamma-Linolenate	0.01213	Gamma-Linolenic acid
trans-Vaccenic acid	0.0986	Vaccenic acid

[*]

Equality of both compounds Tetrahexosylceramide and Globoside was found through literature. See Mack and Szuchet[2], Müsken et al.[3] and Detzner et al.[4].

[1]

Nantia Leonidou, Alina Renz, Reihaneh Mostolizadeh, and Andreas Dräger. New workflow predicts drug targets against sars-cov-2 via metabolic changes in infected cells. PLOS Computational Biology, 19(3):1–32, 03 2023. URL: https://doi.org/10.1371/journal.pcbi.1010903, doi:10.1371/journal.pcbi.1010903.

[2]

Stephen R. Mack and Sara Szuchet. Synthesis of myelin glycosphingolipids by isolated oligodendrocytes in tissue culture. Brain Research, 214(1):180–185, 1981. URL: https://www.sciencedirect.com/science/article/pii/0006899381904510, doi:10.1016/0006-8993(81)90451-0.

[3]

Anne Müsken, Jamal Souady, Klaus Dreisewerd, Wenlan Zhang, Ute Distler, Jasna Peter-Katalinić, Halina Miller-Podraza, Helge Karch, and Johannes Müthing. Application of thin-layer chromatography/infrared matrix-assisted laser desorption/ionization orthogonal time-of-flight mass spectrometry to structural analysis of bacteria-binding glycosphingolipids selected by affinity detection. Rapid communications in mass spectrometry : RCM, 24(7):1032–1038, 2010. Journal Article Research Support, Non-U.S. Gov’t. arXiv:20213676, doi:10.1002/rcm.4480.

[4]

Johanna Detzner, Gottfried Pohlentz, and Johannes Müthing. Valid presumption of shiga toxin-mediated damage of developing erythrocytes in ehec-associated hemolytic uremic syndrome. Toxins, 12(6):373, 2020. URL: https://www.mdpi.com/2072-6651/12/6/373, doi:10.3390/toxins12060373.