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Showing information for HMDB0000062 ('carnitine', 'L-carnitine')

Metabolite information
HMDB ID	HMDB0000062
Synonyms	1-Carnitine 3-Carboxy-2-hydroxy-N,N,N-trimethyl-1-propanaminium 3-Carboxy-2-hydroxy-N,N,N-trimethyl-1-propanaminium hydroxide, inner salt 3-Hydroxy-4-trimethylammoniobutanoate 3-Hydroxy-4-trimethylammoniobutanoic acid Adipose Adult-onset diabetes Beautification product Bicarnesine Body fat Carcinoma of the lung Carnicor Carniking Carniking 50 Carnilean Carnipass Carnipass 20 Carnitene Carnitine Carnitor Csf Cytoplasma D-Carnitine DL-Carnitine Dietary supplement Digestion Ee Er Extracellular region Faecal Faeces Fat tissue Fauna Fecal Flora Heart muscle High blood pressure Hpn Htn Increased heart rate Intra-venous Irrigation Karnitin Kidneys L Carnitine L-[-]-Carnitine L-gamma-Trimethyl-beta-hydroxybutyrobetaine Legume Levocarnitina Levocarnitine Levocarnitinum Lung carcinoma Lungs Myocardial tissue Myocardium Neuron Niddm Non-insulin-dependent diabetes mellitus Nutraceutical Papilionoideae Pcp Peroxisomal Peroxisome vesicle Personal hygiene Prostate gland R-[-]-3-Hydroxy-4-trimethylaminobutyrate Stool Striated muscle Testes Testis Thrombocyte Toiletries Toiletry Vitamin BT [-]-Carnitine [-]-L-Carnitine [-]-[R]-3-Hydroxy-4-[trimethylammonio]butyrate [R]-Carnitine [R]-[3-Carboxy-2-hydroxypropyl]trimethylammonium hydroxide [S]-Carnitine [epema syndrome] delta-Carnitine gamma-Trimethyl-ammonium-beta-hydroxybutirate gamma-Trimethyl-beta-hydroxybutyrobetaine gamma-Trimethyl-hydroxybutyrobetaine
Chemical formula	C7H15NO3
IUPAC name	(3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate
CAS registry number	541-15-1
Monisotopic molecular weight	161.105193351
Chemical taxonomy
Super class	Organic nitrogen compounds
Class	Organonitrogen compounds
Sub class	Quaternary ammonium salts
Biological properties
Pahtways	Adrenoleukodystrophy, X-linked Beta Oxidation of Very Long Chain Fatty Acids Carnitine Synthesis Carnitine palmitoyl transferase deficiency [II] Carnitine palmitoyl transferase deficiency [I] Carnitine-acylcarnitine translocase deficiency Ethylmalonic Encephalopathy Fatty acid Metabolism Glutaric Aciduria Type I Long chain acyl-CoA dehydrogenase deficiency [LCAD] Medium chain acyl-coa dehydrogenase deficiency [MCAD] Mitochondrial Beta-Oxidation of Long Chain Saturated Fatty Acids Mitochondrial Beta-Oxidation of Short Chain Saturated Fatty Acids Oxidation of Branched Chain Fatty Acids Short Chain Acyl CoA Dehydrogenase Deficiency [SCAD Deficiency] Trifunctional protein deficiency Very-long-chain acyl coa dehydrogenase deficiency [VLCAD]
Author-emphasized biomarker in the paper(s)	Wu et al. 2014 Klupczynska et al. 2017 Callejon-Leblic et al. 2016

Lung cancer metabolomics studies that identify HMDB0000062 ('carnitine', 'L-carnitine')

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
Chen et al. 2015	–	serum	–	lung cancer	–	30	–	61.58 ± 10.67	–	healthy	30	–	60.35 ± 12.48	–
Chen et al. 2015	–	serum	–	lung cancer	–	30	–	61.58 ± 10.67	–	before vs. after treatment (operation)	30	–	61.58 ± 10.67	–
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	–
Callejon-Leblic et al. 2016	–	bronchoalveolar lavage fluid	diagnosis	lung cancer	–	24	16, 8	66 ± 11	–	noncancerous lung diseases	31	23, 8	56 ± 13	–
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	–
Wu et al. 2014	–	urine	diagnosis	NSCLC	–	20	10, 10	38-74	–	healthy	20	10, 10	35-66	–
Klupczynska et al. 2017	–	serum	diagnosis	adenocarcinoma, squamous cell carcinoma	I, II	50	28, 22	65 (53-86)	–	healthy	25	14, 11	64 (50-78)	–
Chen et al. 2015	–	serum	–	lung cancer (postoperative)	–	30	–	61.58 ± 10.67	–	healthy	30	–	60.35 ± 12.48	–
Callejón-Leblic et al. 2019	–	blood	diagnosis	NSCLC, SCLC	II, III, IV	30	25, 5	67 ± 12	former, current, non-smoker	healthy	30	14, 16	56 ± 14	former, non-smoker
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	–
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	–
Li et al. 2015	–	tissue	diagnosis	adenocarcinoma, squamous cell carcinoma	–	52	–	–	–	tumor vs. adjacent normal tissue	21	–	–	–

Reference	Chromatography	Ion source	Positive/Negative mode	Mass analyzer	Identification level
Chen et al. 2015	LC	ESI	positive	Q-TOF	–
Chen et al. 2015	LC	ESI	positive	Q-TOF	–
Mazzone et al. 2016	LC	ESI	positive	linear ion-trap	MS/MS
Callejon-Leblic et al. 2016	DI	ESI	positive	Q-TOF	MS/MS
Moreno et al. 2018	LC, GC	ESI, EI	positive, negative	LC: linear ion‐trap, GC: single‐quadrupole	LC: MS/MS
Wu et al. 2014	LC	ESI	positive	Q-TOF	MS/MS
Klupczynska et al. 2017	LC	ESI	positive	Quadrupole- Orbitrap	MS/MS
Chen et al. 2015	LC	ESI	positive	Q-TOF	–
Callejón-Leblic et al. 2019	DI	ESI	positive	Q-TOF	MS/MS
Moreno et al. 2018	LC, GC	ESI, EI	positive, negative	LC: linear ion‐trap, GC: single‐quadrupole	LC: MS/MS
Yang et al. 2010	LC	ESI	positive	QTRAP	MS/MS
Li et al. 2015	LC	AFADESI	positive, negative	Q-Orbitrap, Q-TOF	MS/MS

Reference	Data processing software	Database search
Chen et al. 2015	Mass Hunter Qualitative Analysis Software (Agilent Technologies)	METLIN
Chen et al. 2015	Mass Hunter Qualitative Analysis Software (Agilent Technologies)	METLIN
Mazzone et al. 2016	Metabolon LIMS system	Metabolon LIMS system
Callejon-Leblic et al. 2016	Markerview	HMDB, METLIN
Moreno et al. 2018	–	KEGG, HMDB
Wu et al. 2014	MassLynx	HMDB, metlin, lipidmaps
Klupczynska et al. 2017	MZmine 2.19 software	In-house library
Chen et al. 2015	Mass Hunter Qualitative Analysis Software (Agilent Technologies)	METLIN
Callejón-Leblic et al. 2019	–	HMDB, Metlin
Moreno et al. 2018	–	KEGG, HMDB
Yang et al. 2010	MarkerView	HMDB, KEGG, Pubchem, mass bank
Li et al. 2015	Markerview (AB SCIEX)	LIPID MAPS, Massbank, HMDB, METLIN

Differential analysis
Classification analysis

Reference	Difference method	Mean concentration (case)	Mean concentration (control)	Fold change (case/control)	P-value	FDR	VIP
Chen et al. 2015	PCA, PLS-DA, independent t test	–	–	1.6958399292663	<0.001	–	1.57
Chen et al. 2015	PCA, PLS-DA, independent t test	–	–	0.718470088272032	<0.001	–	1.388
Mazzone et al. 2016	two- sample independent t test	0.995517± 0.2106721	1.023201± 0.1734553	0.972943732463123	0.2401905	0.352048394	–
Callejon-Leblic et al. 2016	PLS-LDA, one-way ANOVA	–	–	0.92	0.023	–	2.67
Moreno et al. 2018	paired two‐sample t‐test, PLS-DA	–	–	0.826748299437723	0.0144979795741536	0.0275524373725258	–
Wu et al. 2014	OPLS-DA, student’s t-test	–	–	2.83	0.0106	–	2.82
Klupczynska et al. 2017	t-test	–	–	1.12	0.00249	0.01772	–
Chen et al. 2015	PCA, PLS-DA, independent t test	–	–	1.21756601866299	0.001	–	1.165
Callejón-Leblic et al. 2019	PCA, PLS-DA, one-way ANOVA	–	–	1.44	0.0002	–	2.11
Moreno et al. 2018	paired two‐sample t‐test, PLS-DA	–	–	0.762109503097979	0.0000128278078810102	0.0000270893216369021	–
Yang et al. 2010	OSC PLS‐DA	–	–	3.7	–	–	1.79
Li et al. 2015	t-test, PLS-DA, OPLS-DA	–	–	–	–	–	3.72

Reference	Classification method	Cutoff value	AUROC 95%CI	Sensitivity (%)	Specificity (%)	Accuracy (%)
Chen et al. 2015	–	–	–	–	–	–
Chen et al. 2015	–	–	–	–	–	–
Mazzone et al. 2016	–	–	–	–	–	–
Callejon-Leblic et al. 2016	ROC curve analysis	–	0.87	–	–	–
Moreno et al. 2018	–	–	–	–	–	–
Wu et al. 2014	ROC curve analysis	–	Carnitine+Acylcarnitine C3+Acylcarnitine C7:1+Acylcarnitine C8:2+Acylcarnitine C8:1+Acylcarnitine C8+Acylcarnitine C9:1+Acylcarnitine C10:3+Acylcarnitine C10:3+[Acylcarnitine C10:2+OH]+[Acylcarnitine C10:1+OH]+Acylcarnitine C12:4=0.958 (0.902-1.013) Taurine+Hippuric Acid+Tyrosine+Uric Acid+Carnitine+Acylcarnitine C3+Acylcarnitine C7:1+Acylcarnitine C8:2+Acylcarnitine C8:1+Acylcarnitine C8+Acylcarnitine C9:1+Acylcarnitine C10:3+Acylcarnitine C10:3+[Acylcarnitine C10:2+OH]+[Acylcarnitine C10:1+OH]+Acylcarnitine C12:4=1.000 (1.000-1.000)	–	–	–
Klupczynska et al. 2017	ROC curve analysis (Monte-Carlo cross validation)	–	0.656 (0.511–0.776)	0.52	0.76	–
Chen et al. 2015	–	–	–	–	–	–
Callejón-Leblic et al. 2019	ROC curve	–	0.73	–	–	–
Moreno et al. 2018	–	–	–	–	–	–
Yang et al. 2010	–	–	–	–	–	–
Li et al. 2015	ROC curve analysis	–	–	–	–	–