Metabolite information |
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| HMDB ID | HMDB0000201 |
| Synonyms |
(+-)-Acetylcarnitine(-)-Acetylcarnitine(R)-Acetylcarnitine3-(Acetyloxy)-4-(trimethylammonio)butanoate3-(Acetyloxy)-4-(trimethylammonio)butanoic acidALCAcetyl L carnitineAcetyl carnitineAcetyl-DL-carnitineAcetyl-L-(-)-carnitineAcetyl-L-carnitineAcetyl-carnitineAcetylcarnitineAcetylcarnitine, (R)-isomerAlcarBranigenCarnitine, acetylDL-O-AcetylcarnitineL-AcetylcarnitineL-Carnitine acetyl esterL-O-AcetylcarnitineLevocarnitine acetylMedosanNicetileO-Acetyl-(R)-carnitineO-Acetyl-L-carnitineO-AcetylcarnitineR-Acetylcarnitine |
| Chemical formula | C9H17NO4 |
| IUPAC name | (3R)-3-(acetyloxy)-4-(trimethylazaniumyl)butanoate |
| CAS registry number | 3040-38-8 |
| Monoisotopic molecular weight | 203.115758031 |
Chemical taxonomy |
|
| Super class | Lipids and lipid-like molecules |
| Class | Fatty Acyls |
| Sub class | Fatty acid esters |
Biological properties |
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| Pathways (Pathway Details in HMDB) |
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| Reference | Country | Specimen | Marker function | Participants (Case) | Participants (Control) | |||||||||
| 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 | US | 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 | – |
| Guo et al. 2012 | China | serum | diagnosis | adenocarcinoma, squamous cell carcinoma, SCLC | I, II, III, IV | 58 | 39, 19 | 52 ± 12 / 52 ± 12 | – | healthy | 495 | 251, 244 | 61 ± 10 / 63 ± 12 | – |
| Chen et al. 2015b | China | serum | – | lung cancer | – | 30 | – | 61.58 ± 10.67 | – | healthy | 30 | – | 60.35 ± 12.48 | – |
| Chen et al. 2015b | China | serum | – | lung cancer | – | 30 | – | 61.58 ± 10.67 | – | before vs. after treatment (operation) | 30 | – | 61.58 ± 10.67 | – |
| Callejon-Leblic et al. 2016 | Spain | bronchoalveolar lavage fluid | diagnosis | lung cancer | – | 24 | 16, 8 | 66 ± 11 | – | noncancerous lung diseases | 31 | 23, 8 | 56 ± 13 | – |
| Moreno et al. 2018 | Spain | 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 | – |
| Moreno et al. 2018 | Spain | 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 | – |
| Qi et al. 2021 | China | blood | diagnosis | adenocarcinoma, squamous cell carcinoma, small cell lung cancer, other types, unknown types | I, II, III, IV | 98 | 51, 47 | Median: 50 (32-69) | – | healthy | 75 | 36, 39 | Median: 50 (31-69) | – |
| Kowalczyk et al. 2021 | Poland | Tissue | diagnosis | squemous cell carcinoma (SCC) | I, II, III | 54 | 39, 15 | 64.45 ± 8.02 | – | healthy control | 20 | 13, 7 | 61.5 ± 12.06 | – |
| Reference | Chromatography | Ion source | Positive/Negative mode | Mass analyzer | Identification level |
| Mazzone et al. 2016 | LC | ESI | positive | linear ion-trap | MS/MS |
| Guo et al. 2012 | DI | ESI | positive | FT-ICR | MS/MS |
| Chen et al. 2015b | LC | ESI | positive | Q-TOF | – |
| Chen et al. 2015b | LC | ESI | positive | Q-TOF | – |
| Callejon-Leblic et al. 2016 | DI | ESI | positive | Q-TOF | MS/MS |
| Moreno et al. 2018 | LC, GC | ESI, EI | both | LC: linear ion-trap, GC: single-quadrupole | LC: MS/MS |
| Moreno et al. 2018 | LC, GC | ESI, EI | both | LC: linear ion-trap, GC: single-quadrupole | LC: MS/MS |
| Qi et al. 2021 | LC | ESI | both | Q-Orbitrap | MS/MS |
| Kowalczyk et al. 2021 | LC | ESI | both | Q-TOF | – |
| Reference | Data processing software | Database search |
| Mazzone et al. 2016 | Metabolon LIMS system | Metabolon LIMS system |
| Guo et al. 2012 | – | HMDB, Lipid maps |
| Chen et al. 2015b | Mass Hunter Qualitative Analysis Software (Agilent Technologies) | METLIN |
| Chen et al. 2015b | Mass Hunter Qualitative Analysis Software (Agilent Technologies) | METLIN |
| Callejon-Leblic et al. 2016 | Markerview | HMDB, METLIN |
| Moreno et al. 2018 | – | KEGG, HMDB |
| Moreno et al. 2018 | – | KEGG, HMDB |
| Qi et al. 2021 | ProteoWizard, XCMS, Xcalibur, CAMERA | mzCloud, ChemSpider, LipidBlast and Fiehn HILIC |
| Kowalczyk et al. 2021 | Mass Hunter Qualitative Analysis Software, Mass Profiler Professional | METLIN, KEGG, LIPIDMAPS, and HMDB |
| 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 | 1.1267415± 0.353238 | 0.9733468± 0.2791747 | 1.16 | 8.63e-05 | 0.02 | – |
| Guo et al. 2012 | PLS-DA, | – | – | – | – | – | – |
| Chen et al. 2015b | PCA, PLS-DA, independent t test | – | – | 1.69 | 1.00e-03 | – | 1.18 |
| Chen et al. 2015b | PCA, PLS-DA, independent t test | – | – | 1.64 | 1.00e-03 | – | 1.30 |
| Callejon-Leblic et al. 2016 | PLS-LDA, one-way ANOVA | – | – | 0.71 | 0.01 | – | 1.71 |
| Moreno et al. 2018 | paired two-sample t-test, PLS-DA | – | – | 0.80 | 6.43e-03 | 0.01 | – |
| Moreno et al. 2018 | paired two-sample t-test, PLS-DA | – | – | 0.79 | 7.68e-06 | 1.69e-05 | – |
| Qi et al. 2021 | PCA, OPLS-DA, Student’s t test | – | – | 0.92 | 0.04 | – | 3.26 |
| Kowalczyk et al. 2021 | Mann–Whitney U-test and Benjamini–Hochberg false discovery rate, partial least squares discriminant analysis (PLS-DA) | – | – | – | 0.05 | – | – |
| Reference | Classification method | Cutoff value | AUROC 95%CI | Sensitivity (%) | Specificity (%) | Accuracy (%) |
| Mazzone et al. 2016 | – | – | – | – | – | – |
| Guo et al. 2012 | ROC curve | – | male oleamide + long chain acyl carnitine: 0.883, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 0.983, female oleamide + long chain acyl carnitine: 0.879, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 0.993 | male oleamide + long chain acyl carnitine:87.2, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 100, female oleamide + long chain acyl carnitine:78.9, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 100 | male oleamide + long chain acyl carnitine: 84.1, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 100, female oleamide + long chain acyl carnitine: 92.3, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 93.1 | – |
| Chen et al. 2015b | – | – | – | – | – | – |
| Chen et al. 2015b | – | – | – | – | – | – |
| Callejon-Leblic et al. 2016 | ROC curve analysis | – | 0.71 | – | – | – |
| Moreno et al. 2018 | – | – | – | – | – | – |
| Moreno et al. 2018 | – | – | – | – | – | – |
| Qi et al. 2021 | – | – | – | – | – | – |
| Kowalczyk et al. 2021 | – | – | – | – | – | – |