Metabolite page

Showing information for HMDB0000043 ('betaine')

Metabolite information
HMDB ID	HMDB0000043
Synonyms	1-Carboxy-N,N,N-trimethyl-methanaminium 1-Carboxy-N,N,N-trimethyl-methanaminium hydroxide 1-Carboxy-N,N,N-trimethylmethanaminium inner salt 2-N,N,N-trimethylammonio Acetate 2-N,N,N-trimethylammonio Acetic acid Abromine Acidin pepsin Acidin-pepsin AcidinPepsin Acidol Adipose Aminocoat Anephric patients Beaufour brand OF betaine citrate Bet Betafin Betafin BCR Betafin BP Betaine hydrochloride Betaine orphan brand Betaine, glycine Body fat Boizot brand OF betaine aspartate Byk brand OF betaine phosphate C.B.B. Capd Carcinoma of the lung Chronic kidney failure Citrate de bétaïne beaufour Citrate de bétaïne upsa Ckf Continuous ambulatory peritoneal dialysis [capd] Cucurbits Cystadane Cytoplasma Digestion Ektasolve ee End-stage renal disease Eskd Esrd Extracellular region Faecal Faeces Fat tissue Fauna Fecal FinnStim Flora Fournier brand OF betaine ascorbate and hydrate Glycine betaine Glycocoll betaine Glycylbetaine Gourds Gramineae Greenstim Haemodialysis Hepastyl Hydrochloride, betaine Kidneys Legume Logeais brand OF betaine cyclobutyrate Loramine amb 13 Loramine amb-13 Lung carcinoma Lycine N,N,N-Trimethylammonioacetate N,N,N-Trimethylammonioacetic acid N,N,N-Trimethylglycine Novobetaine Orphan brand OF betaine Osmolosis agent Oxyneurine Papilionoideae Prostate gland Rubrine C Scorbobétaïne Soy Soya Soya bean Soybean Stage 5 chronic kidney disease Stage 5 ckd Stea-16 Stea16 Stool Striated muscle Testes Testis Thrombocyte Trimethylaminoacetate Trimethylaminoacetic acid Trimethylammonioacetate Trimethylammonioacetic acid Trimethylbetaine glycine Trimethylglycine Trimethylglycocoll UPSA brand OF betaine citrate [Carboxymethyl]trimethylammonium hydroxide inner salt [Trimethylammoniumyl]acetate [Trimethylammoniumyl]acetic acid [trimethylammonio]Acetate a-Earleine alpha-Earleine scorbo Bétaïne scorbo-Bétaïne
Chemical formula	C5H11NO2
IUPAC name	2-(trimethylazaniumyl)acetate
CAS registry number	107-43-7
Monisotopic molecular weight	117.078978601
Chemical taxonomy
Super class	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Sub class	Amino acids, peptides, and analogues
Biological properties
Pahtways	3-Phosphoglycerate dehydrogenase deficiency Betaine Metabolism Cystathionine Beta-Synthase Deficiency Dihydropyrimidine Dehydrogenase Deficiency [DHPD] Dimethylglycine Dehydrogenase Deficiency Dimethylglycine Dehydrogenase Deficiency Glycine N-methyltransferase Deficiency Glycine and Serine Metabolism Homocystinuria-megaloblastic anemia due to defect in cobalamin metabolism, cblG complementation type Hyperglycinemia, non-ketotic Hypermethioninemia Methionine Adenosyltransferase Deficiency Methionine Metabolism Methylenetetrahydrofolate Reductase Deficiency [MTHFRD] Non Ketotic Hyperglycinemia S-Adenosylhomocysteine [SAH] Hydrolase Deficiency Sarcosine Oncometabolite Pathway Sarcosinemia
Author-emphasized biomarker in the paper(s)

Lung cancer metabolomics studies that identify HMDB0000043 ('betaine')

Reference	Country	Specimen	Marker function	Participants (Case)						Participants (Control)
Reference	Country	Specimen	Marker function	Cancer type	Stage	Number	Gender (M,F)	Age mean (range) (M/F)	Smoking status	Type	Number	Gender (M,F)	Age mean (range) (M/F)	Smoking status
Mazzone et al. 2016	–	serum	–	adenocarcinoma, squamous cell carcinoma	I, II, III	94	55.3%, 44.7%	68.7	–	at-risk controls	190	50.5%, 49.5%	66.2	–
Moreno et al. 2018	–	tissue	therapy, diagnosis	squamous cell carcinoma	I, II, III	35	35, 0	68.71 ± 7.46	–	tumor vs. adjacent normal tissue	35	35, 0	68.71 ± 7.46	–
Moreno et al. 2018	–	tissue	therapy, diagnosis	adenocarcinoma	I, II, III	33	24, 9	62.11 ± 9.73	–	tumor vs. adjacent normal tissue	33	24, 9	62.11 ± 9.73	–
Li et al. 2015	–	tissue	diagnosis	adenocarcinoma, squamous cell carcinoma	–	52	–	–	–	tumor vs. adjacent normal tissue	21	–	–	–
Yang et al. 2010	–	urine	diagnosis	adenocarcinoma, squamous cell carcinoma	–	35	23, 12	61.8 ± 13.3, 57.4 ± 9.8	–	healthy	32	27, 5	57.1 ± 9.9 / 45.6 ± 10.8	–

Reference	Chromatography	Ion source	Positive/Negative mode	Mass analyzer	Identification level
Mazzone et al. 2016	LC	ESI	positive	linear ion-trap	MS/MS
Moreno et al. 2018	LC, GC	ESI, EI	positive, negative	LC: linear ion‐trap, GC: single‐quadrupole	LC: MS/MS
Moreno et al. 2018	LC, GC	ESI, EI	positive, negative	LC: linear ion‐trap, GC: single‐quadrupole	LC: MS/MS
Li et al. 2015	LC	AFADESI	positive, negative	Q-Orbitrap, Q-TOF	MS/MS
Yang et al. 2010	LC	ESI	positive	QTRAP	MS/MS

Reference	Data processing software	Database search
Mazzone et al. 2016	Metabolon LIMS system	Metabolon LIMS system
Moreno et al. 2018	–	KEGG, HMDB
Moreno et al. 2018	–	KEGG, HMDB
Li et al. 2015	Markerview (AB SCIEX)	LIPID MAPS, Massbank, HMDB, METLIN
Yang et al. 2010	MarkerView	HMDB, KEGG, Pubchem, mass bank

Differential analysis
Classification analysis

Reference	Difference method	Mean concentration (case)	Mean concentration (control)	Fold change (case/control)	P-value	FDR	VIP
Mazzone et al. 2016	two- sample independent t test	1.069745± 0.3258525	1.024067± 0.2985595	1.04460450341628	0.239907	0.352048394	–
Moreno et al. 2018	paired two‐sample t‐test, PLS-DA	–	–	0.83364344962155	0.0029729786648727	0.00448475798595163	–
Moreno et al. 2018	paired two‐sample t‐test, PLS-DA	–	–	0.794146440095928	0.00203456449709084	0.00472578737684064	–
Li et al. 2015	t-test, PLS-DA, OPLS-DA	–	–	–	–	–	2.55
Yang et al. 2010	OSC PLS‐DA	–	–	106.6	–	–	2.61

Reference	Classification method	Cutoff value	AUROC 95%CI	Sensitivity (%)	Specificity (%)	Accuracy (%)
Mazzone et al. 2016	–	–	–	–	–	–
Moreno et al. 2018	–	–	–	–	–	–
Moreno et al. 2018	–	–	–	–	–	–
Li et al. 2015	ROC curve analysis	–	–	–	–	–
Yang et al. 2010	–	–	–	–	–	–