Metabolome & Lipidome Analyses

Single pathway targeted analyses (absolute quantification) | Multiple pathway targeted analyses - polar metabolites (relative quantification) | Multiple pathway targeted analyses - complex lipids (estimated quantification) | Stable isotope-assisted analyses | Untargeted analyses

Single pathway targeted analyses (absolute quantification)

Show all Hide all

Amino acid metabolism

alanine	glutamate	ornithine
alpha-aminoadipate	glutamine	phenylalanine
alpha-aminobutyrate	glycine	pipecolate
anserine	guanidinoacetate	proline
arginine	histidine	serine
asparagine	homocitrulline	taurine
beta-alanine/sarcosine	isoleucine	threonine
carnosine	kynurenine	trans-4-hydroxy-proline
citrulline	leucine	tryptophan
creatine	lysine	tyrosine
gamma-aminobutyrate	methionine	valine

Acylcarnitine metabolism

Carnitine

Acetylcarnitine

Propionylcarnitine

Iso-/Butyrylcarnitine

Isovaleryl-/2-Methylbutyrylcarnitine

Hexanoylcarnitine

Octanoylcarnitine

Decanoylcarnitine

Dodecanoylcarnitine

Tetradecanoylcarnitine

Palmitoylcarnitine

Stearoylcarnitine

Other hydroxy- and (un)saturated acylcarnitinespecies can also be measured on demand:

3-Hydroxy-butyrylcarnitine	Heptanoylcarnitine
3-OH-decanoylcarnitine	Hexadecanoylcarnitine
3-OH-dodecanoylcarnitine	Hexadecenoylcarnitine
3-OH-hexadecanoylcarnitine	Hydroxyisovalerylcarnitine
3-OH-hexadecenoylcarnitine	Linoleylcarnitine
3-OH-hexanoylcarnitine	Malonylcarnitine
3-OH-linoleylcarnitine	Methylmalonylcarnitine
3-OH-oleylcarnitine	Octenoylcarnitine
3-OH-stearoylcarnitine	Oleylcarnitine
3-OH-tetradecanolycarnitine	Suberylcarnitine, propylglutarylcarnitine
3-OH-tetradecenoylcarnitine	Succinylcarnitine
Adipylcarnitine, 3-methylglutarylcarnitine	Tetradecadienoylcarnitine
Decenoylcarnitine	Tetradecenoylcarnitine
Dodecenoylcarnitine	Tiglylcarnitine
Glutarylcarnitine

Glycolysis and TCA cycle

TCA cycle-1.jpg

Acetyl-CoA	Glutaryl-CoA
Citrate	Trans-aconitate
Isocitrate	Glucose-6-phosphate
Alpha-ketoglutarate	Fructose-6-phosphate
Succinyl-CoA	Phosphoenolpyruvate
Succinate	Pyruvate
Malate	Lactate

TOP ^

NAD de novo synthesis and salvage pathway

Tryptophan_Nicotinatenicotinamide pathway.png

tryptophan	nicotinic acid mononucleotide (NaMN, nicotinate ribonucleotide)
kynurenine	nicotinic acid adenine Dinucleotide (NaAD, deamino-NAD+)
kynurenic acid	NAD+
anthranilic acid	nicotinamide mononucleotide (NMN, nicotinamide ribotide)
3-hydroxy-kynurenine	nicotinamide riboside (NR, ribosyl-nicotinamide)
xanthurenic acid	nicotinamide (NAM, niacin, Vitamin B3)
3-hydroxyanthranilic acid	picolinic acid
quinolinic acid
nicotinic acid

TOP ^

Polyamine metabolism

Polyamine pathway.jpg

Methionine

S-adenosylmethionine (SAM)

S-adenosylhomocysteine (SAH)

Decarboxylated S-adenosylmethionine

Methylthioadenosine

Arginine

Asymmetric dimethylarginine (ADMA)

Symmetric dimethylarginine (SDMA)

Agmatine

Ornithine

Putrescine

Spermidine

Spermine

Acetylputrescine

N1-Acetylspermine

N1-Acetylspermidine

N1, N8-Diacetylspermidine

N1, N12-Diacetylspermine

Lysine

Cadaverine

Bile acid metabolism

Bile acids.jpg

Lithocholic acid	Cholic acid
7-Ketolithocholic acid	Glycolithocholic acid
Murocholic acid	Glycoursodeoxycholic acid
Ursodeoxycholic acid	Glycohyodeoxycholic acid
Hyodeoxycholic acid	Glycochenodeoxycholic acid
Chenodeoxycholic acid	Glycodeoxycholic acid *
Deoxycholic acid	Glycocholic acid
Isodeoxycholic acid	Taurolithocholic acid
3-Oxocholic acid	Tauroursodeoxycholic acid
7-Ketodeoxycholic acid	Taurohyodeoxycholic acid
α-Muricholic acid	Taurochenodeoxycholic acid
β-Muricholic acid	Taurodeoxycholic acid
ω-Muricholic acid	Tauro-β-muricholic acid
γ-Muricholic acid	Taurocholic acid

Steroid metabolism

Progestagens	Androgens
Pregnenolone	Dehydroepiandrosterone
17α-hydroxypregnenolone	Androstenedione
Progesterone	Testosterone
17α-hydroxyprogesterone	Dihydrotestosterone
Glucocorticoids and mineralocorticoids	Androsterone
11-deoxycorticosterone	EpiTestosterone
Corticosterone	Estrogens
Aldosterone	Estrone
11-deoxycortisol	Estradiol
Cortisol	Estriol
21-Deoxycortisol	EthynylEstradiol
Cortisone	Sulfated forms
	Estrone sulfate
	DHEAS
	Pregnenolone sulfate

Sphingolipid metabolism

Method was recently updated to include deoxysphingolipids!

SM C6:0 (d18:1/6:0)	DhCer C16:0 (d18:0/16:0)
SM C12:0 (d18:1/12:0)	DhCer C24:1 (d18:0/24:1(15Z))
SM C16:0 (d18:1/16:0)	DhCer C24:0 (d18:0/24:0)
SM C18:1 (d18:1/18:1(9Z))	GlcCer C12:0 (d18:1/12:0)
SM C18:0 (d18:1/18:0)	GlcCer C16:0 (d18:1/16:0)
SM C24:1 (d18:1/24:1(15Z))	GlcCer C18:1 (d18:1/18:1(9Z))
SM C24:0 (d18:1/24:0)	GlcCer C18:0 (d18:1/18:0)
Cer C2:0 (d18:1/2:0)	GlcCer C24:1 (d18:1/24:1(15Z))
Cer C4:0 (d18:1/4:0)	LacCer C12:0 (d18:1/12:0)
Cer C6:0 (d18:1/6:0)	LacCer C16:0 (d18:1/16:0)
Cer C8:0 (d18:1/8:0)	LacCer C24:1 (d18:1/24:1)
Cer C10:0 (d18:1/10:0)	LacCer C24:0 (d18:1/24:0)
Cer C12:0 (d18:1/12:0)	GlcSph C18:1
Cer C14:0 (d18:1/14:0)	Sph (d18:1)
Cer C16:0 (d18:1/16:0)	Sph (d20:1)
Cer C18:1 (d18:1/18:1(9Z))	Spa (d18:0)
Cer C18:0 (d18:1/18:0)	Sph 1P (d18:1)
Cer C20:0 (d18:1/20:0)	Spa 1P (d18:0)
Cer C22:0 (d18:1/22:0)	Cer1P C16:0 (d18:1/16:0)
Cer C24:1 (d18:1/24:1(15Z))	Cer1P C18:1 (d18:1/18:1(9Z))
Cer C24:0 (d18:1/24:0)	Cer1P C24:0 (d18:1/24:0)

Eicosanoid metabolism

13-HODE	20-COOH-LTB4	5,6-DiHETE
9-HODE	5,6-DiHETrE	5-KETE
12(13)-EpOME	15-KETE	8(9)-EpETrE
12,13-DiHOME	5-HEPE	9-HOTrE
12-HETE	8-iso-PGE2	8-HDoHE
15-HETE	LTB3	9-KOTrE
5-HETE	LTB4	20-OH-LTB4
9(10)-EpOME	PGE1	13-HOTrE
9,10,13-TriHOME	6-keto-PGF1a	8,15-DiHETE
9,10-DiHOME	PGD2	LTC4
9,12,13-TriHOME	PGD3	14,15-LTC4
9-HETE	PGE2	LTD4
13-KODE	10,17-DiHDoHE	LXA4
9-KODE	11-HDoHE	LXA5
12-HEPE	δ 12-PGJ2	LXB4
15-HEPE	17(R)-Resolvin-D1	18-HEPE
14-HDoHE	11(12)-EpETrE	7,17-hydroxy DPA
17-HDoHE	PGF2a	7-Maresin-1
14,15-DiHETE	11,12-DiHETrE	tetranor-PGDM
EKODE	14,15-DiHETrE	13,14-dihydro-15-keto PGE2
Arachidonic acid	PGE3	tetranor-PGEM
Linoleic Acid	PGJ2	iPF2α-IV
Docosahexaenoic Acid	Resolvin D1	5-iPF2α-VI
Eicosapentaenoic Acid	Resolvin D2	8-iso-PGF2α
TXB2	12(13)-EpODE	8-iso-PGF3α
11B-PGF2a	12(S)-HHTrE	11-dehydro TXB2
15-deoxy-PGJ2	LTE4	TXB3
19,20-DiHDPA	5-HETrE	11-dehydro TXB3
8-HETE	14(15)-EpETE	4-HDoHE
11-HEPE	14(15)-EpETrE	11-HEDE
PGB2	6-trans-LTB4	15-HEDE
PGD1	8,9-DiHETrE	13-HOTrE(γ)
12-KETE	16(17)-EpDPE	15-epi Lipoxin A4
9-HEPE	17(18)-EpETE	TXB1
20-HETE	17,18-DiHETE	FOG9
8-HEPE	19(20)-EpDPE	19-HETE
11-HETE	5(6)-EpETrE	15-OxoEDE
8-HETrE	5,15-DiHETE	14,15-LTE4
15(S)-HETrE

TOP ^

Cholesterol and oxysterol metabolism

Method under development

Cholesterol

7a, 25-dihydroxycholesterol (7a25-OHC)

7a, 27-dihydroxycholesterol (7a27-OHC)

7a, 24(s)-dihydroxycholesterol (7a24S-OHC)

7b, 25-dihydroxycholesterol (7b25-OHC)

7b, 27-dihydroxycholesterol (7b27-OHC)

25-hydroxycholesterol (25-OHC)

27-hydroxycholesterol (27-OHC)

24(S)-hydroxycholesterol (24S-OHC)

Thiol-based redox couples

Glutathione reduced (GSH) / Glutathione oxidized (GSSG)

Cysteine (Cys) / Cystine (CySS)

Homocysteine (Homocys) / Homocystine (HomocySS)

TOP ^

Multiple pathway targeted analyses - polar metabolites (relative quantification)

Show all Hide all

Relative quantification of several hundred central carbon metabolites involved in multiple core energy pathways

glycolysis

pentose phosphate pathway

purine and pyrimidine metabolism

TCA cycle

amino acid biosynthesis

OXOPHOS

TOP ^

Multiple pathway targeted analyses - complex lipids (estimated quantification)

Show all Hide all

Initial targeted screen includes 2450 lipid species from five different classes (Remark: Around 850 species can be robustly measured in human plasma (depending on the ethnic and clinical background)

Glycerolipids (mono-, di- and tri-acylglycerols)

Glycerophospholipids (phosphatidylcholines, phosphatidylethanolamines, phosphatidylserines, phosphatidylglycerols, phosphatidylinositols)

Cholesterol esters

Sphingolipids (ceramides, phosphosphingolipids, glycosphingolipids)

Free fatty acids

Stable isotope-assisted analyses

Show all Hide all

Isotopic profiling (e.g. 13C tracer analyses) including pathway mapping

Interpretation of labeling patterns (mass isotopomer distributions) of the metabolites of interest involved in central carbon pathways.

TOP ^

Untargeted analyses

Show all Hide all

Global central carbon/energy metabolite profiling (HILIC +/- ESI HRMS)

Available only in the context of collaborative research projects

Classes of metabolites

Amino acids and derivatives, carboxylic acids, sugars and derivatives, purines and pyrimidines, nucleosides, nucleotides, redox-electron carriers, etc.

Typical workflow

Data processing

Peak picking, retention time correction, alignment, signal intensity drift correction (within batch), peak annotation

Metabolite screening

AMRT (accurate mass - retention time) in-house database identification (300 - 500 metabolites) + putative matching against available metabolite databases (HMDB, LipidMaps)

Statistical analysis

Univariate statistics (parametric and non parametric tests)

Unsupervised multivariate analysis (PCA, HCA) Supervised multivariate analysis (OPLS-DA + loadings contribution + model validation)

Complete metabolite identification

MS/MS data acquisition & matching against available libraries (METLIN + in-house updated library)

Pathway analysis

Metabolite set enrichment analysis (MSEA), Pathway topology analysis

TOP ^

Global lipid profiling (RPLC +/- ESI HRMS)

Available only in the context of collaborative research projects

Classes of metabolites

Phospholipids, sphingolipids, free fatty acids, cholesterol esters, di/triglycerides, acylcarnitines, etc.

Typical workflow

Data processing

Peak picking, retention time correction, alignment, signal intensity drift correction (within batch), peak annotation

Metabolite screening

AMRT (accurate mass - retention time) in-house database identification (300 - 500 metabolites) + putative matching against available metabolite databases (HMDB, LipidMaps)

Statistical analysis

Univariate statistics (parametric and non parametric tests)

Unsupervised multivariate analysis (PCA, HCA) Supervised multivariate analysis (OPLS-DA + loadings contribution + model validation)

Complete metabolite identification

MS/MS data acquisition & matching against available libraries (METLIN + in-house updated library)

Pathway analysis

Metabolite set enrichment analysis (MSEA), Pathway topology analysis

TOP ^