Metabolite information |
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| HMDB ID | HMDB0011564 |
| Synonyms |
1,2,3-Propanetriol 1-hexandecanoyl ester1-Glyceryl hexadecanoate1-Hexadecanoyl-sn-glycerol1-Hexadecanoylglycerol1-MONOPALMITOYL-rac-glycerol1-Monohexadecanoyl-rac-glycerol1-Monohexadecanoylglycerol1-Monopalmitin1-Monopalmitoylglycerol1-O-Hexadecanoylglycerol1-Palmitoylglycerol1-mono-Palmitin2,3-Dihydroxypropyl ester[.+/-.]-hexadecanoic acid2,3-Dihydroxypropyl hexadecanoate2,3-Dihydroxypropyl hexadecanoic acid2,3-Dihydroxypropyl palmitateCellular membraneDL-alpha-PalmitinDigestionExtracellular regionFaecalFaecesFaunaFecalGlycerol 1-hexadecanoateGlycerol 1-hexadecanoic acidGlycerol 1-monohexadecanoateGlycerol 1-monopalmitateGlycerol 1-monopalmitic acidGlycerol 1-palmitateGlycerol 1-palmitic acidGlycerol 3-palmitateGlycerol 3-palmitic acidGlycerol alpha -palmitateGlycerol palmitateGlyceryl monopalmitateGlyceryl palmitateGlyceryl palmitic acidHexadecanoate, 2,3-dihydroxypropyl esterHexadecanoic acid, 2,3-bishydroxy propyl esterHexadecanoic acid, 2,3-dihydroxypropyl esterHexadexanoic acid 2,3-dihydroxypropyl esterL-[-]-alpha-MonopalmitinLipid metabolic processMG [16:0/0:0/0:0]Membrane integrity agentMembrane stability agentMonopalmitinPalmitate a-monoglyceridePalmitate alpha-monoglyceridePalmitate α-monoglyceridePalmitic acid a-monoglyceridePalmitic acid alpha -monoglyceridePalmitic acid alpha-monoglyceridePalmitic acid α-monoglyceridePalmitin, 1-monoPalmitin, 1-mono- [8ci]Palmitoyl glycerolPalmitoyl glycerol, [+,-]-isomerPalmitoyl glycerol, hexadecanoic-1-[14]C-labeled CPD, [R]-isomerSignal transductionStoolSurface-active agent[+-]-2,3-Dihydroxypropyl hexadecanoate[1]-2,3-Dihydroxypropyl palmitate[2S]-1-O-Hexadecanoylglycerol[2S]-1-O-Palmitoylglycerol[C16-C22]Trialkyl glyceride[S]-1-Monopalmitin[S]-2,3-Dihydroxypropyl N-hexadecanoate[S]-2,3-Dihydroxypropyl N-hexadecanoic acid[S]-2,3-Dihydroxypropyl palmitatea-Monopalmitinalpha -Monopalmitinalpha-Monopalmitinrac-1-Palmitoylglycerolrac-1[3]-Palmitoyl glycerolrac-Glycerol 1-palmitatesn-1-Palmitoylmonoglyceridesn-1-Palmitoylmonoglycerolα-monopalmitin |
| Chemical formula | C19H38O4 |
| IUPAC name | (2S)-2,3-dihydroxypropyl hexadecanoate |
| CAS registry number | 32899-41-5 |
| Monisotopic molecular weight | 330.277009704 |
Chemical taxonomy |
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| Super class | Lipids and lipid-like molecules |
| Class | Glycerolipids |
| Sub class | Monoradylglycerols |
Biological properties |
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| Pahtways |
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| Author-emphasized biomarker in the paper(s) |
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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 | – | 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 | – |
| Fahrmann et al. 2015 | – | plasma | diagnosis | adenocarcinoma | I, II, III, IV | 52 | 17, 35 | 65.9 ± 9.66 | – | healthy | 31 | 11, 20 | 64.1 ± 8.97 | – |
| Fahrmann et al. 2015 | – | serum | diagnosis | adenocarcinoma | I, II, III, IV | 49 | 17, 32 | 65.9 ± 9.87 | – | healthy | 31 | 11, 20 | 64.1 ± 8.97 | – |
| Fahrmann et al. 2015 | – | serum | diagnosis | adenocarcinoma | I, II, III, IV | 43 | 21, 22 | 67.3 ± 10.10 | – | healthy | 43 | 21, 22 | 65.9 ± 8.05 | – |
| Fahrmann et al. 2015 | – | plasma | diagnosis | adenocarcinoma | I, II, III, IV | 43 | 21, 22 | 67.3 ± 10.10 | – | healthy | 43 | 21, 22 | 65.9 ± 8.05 | – |
| 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 | – |
| Peralbo-Molina et al. 2016 | – | exhaled breath | diagnosis | adenocarcinoma, squamous cell carcinoma, large cell carcinoma, NSCLC, SCLC | – | 48 | 45, 3 | 63 ± 7 | – | at-risk controls | 130 | 107, 23 | 61±8 | former, active smokers |
| 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 | – |
| Wikoff et al. 2015b | – | tissue | diagnosis | adenocarcinoma | I | 39 | 15, 24 | 72.33 ± 8.78 | smoker, non-smoker | tumor vs. adjacent normal tissue | 39 | 15, 24 | 72.33 ± 8.78 | smoker, non-smoker |
| Reference | Chromatography | Ion source | Positive/Negative mode | Mass analyzer | Identification level |
| Mazzone et al. 2016 | GC | EI | – | quadrupole | MS/MS |
| Fahrmann et al. 2015 | GC | EI | – | TOF | – |
| Fahrmann et al. 2015 | GC | EI | – | TOF | – |
| Fahrmann et al. 2015 | GC | EI | – | TOF | – |
| Fahrmann et al. 2015 | GC | EI | – | TOF | – |
| Moreno et al. 2018 | LC, GC | ESI, EI | positive, negative | LC: linear ion‐trap, GC: single‐quadrupole | LC: MS/MS |
| Peralbo-Molina et al. 2016 | GC | EI | – | Q-TOF | – |
| Moreno et al. 2018 | LC, GC | ESI, EI | positive, negative | LC: linear ion‐trap, GC: single‐quadrupole | LC: MS/MS |
| Wikoff et al. 2015b | GC | EI | – | TOF | – |
| Reference | Data processing software | Database search |
| Mazzone et al. 2016 | Metabolon LIMS system | Metabolon LIMS system |
| Fahrmann et al. 2015 | – | UC Davis Metabolomics BinBase database |
| Fahrmann et al. 2015 | – | UC Davis Metabolomics BinBase database |
| Fahrmann et al. 2015 | – | UC Davis Metabolomics BinBase database |
| Fahrmann et al. 2015 | – | UC Davis Metabolomics BinBase database |
| Moreno et al. 2018 | – | KEGG, HMDB |
| Peralbo-Molina et al. 2016 | Mass Profiler Professional (Angilent), Quantitative Analysis (Angilent) | NIST 11, KEGG |
| Moreno et al. 2018 | – | KEGG, HMDB |
| Wikoff et al. 2015b | BinBase | NIST11, BinBase |
| 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 | 1.081152± 0.9683362 | 1.085895± 0.4250285 | 0.995632174381501 | 0.9542637 | 0.804216432 | – |
| Fahrmann et al. 2015 | regress (by the covariates: age, gender and smoking history [packs per year]), permutation test | 117 ± 89 | 111 ± 39 | 1.05 | 0.854 | 0.949 | – |
| Fahrmann et al. 2015 | regress (by the covariates: age, gender and smoking history [packs per year]), permutation test | 148 ± 136 | 138 ± 55 | 1.07 | 0.782 | 0.898 | – |
| Fahrmann et al. 2015 | regress (by the covariates: age, gender and smoking history [packs per year]), permutation test | 141 ± 54 | 143 ± 44 | 0.983 | 0.768 | 0.935 | – |
| Fahrmann et al. 2015 | regress (by the covariates: age, gender and smoking history [packs per year]), permutation test | 66 ± 21 | 78 ± 30 | 0.85 | 0.125 | 0.356 | – |
| Moreno et al. 2018 | paired two‐sample t‐test, PLS-DA | – | – | 1.25003661126952 | 0.0349205104618884 | 0.0569892345456098 | – |
| Peralbo-Molina et al. 2016 | unpaired t-test, Fisher's exact, Mann–Whitney tests | – | – | 6.19059466259437 | 0.003899 | – | – |
| Moreno et al. 2018 | paired two‐sample t‐test, PLS-DA | – | – | 1.44867963620245 | 0.000275888217637533 | 0.000473459779945701 | – |
| Wikoff et al. 2015b | OPLS-DA | – | – | 1.1 | – | 0.047 | – |
| Reference | Classification method | Cutoff value | AUROC 95%CI | Sensitivity (%) | Specificity (%) | Accuracy (%) |
| Mazzone et al. 2016 | – | – | – | – | – | – |
| Fahrmann et al. 2015 | random forest | – | – | – | – | – |
| Fahrmann et al. 2015 | random forest | – | – | – | – | – |
| Fahrmann et al. 2015 | random forest | – | – | – | – | – |
| Fahrmann et al. 2015 | random forest | – | – | – | – | – |
| Moreno et al. 2018 | – | – | – | – | – | – |
| Peralbo-Molina et al. 2016 | Support-vector machine, ROC curve analysis | – | – | – | – | – |
| Moreno et al. 2018 | – | – | – | – | – | – |
| Wikoff et al. 2015b | – | – | – | – | – | – |