Metabolite information |
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| HMDB ID | HMDB0001262 |
| Synonyms |
4-O-[4-O-Hexopyranosylhexopyranosyl]hexoseAmylotrioseCucurbitsCytoplasmaD-[+]-MaltotrioseDigestionExtracellular regionFaecalFaecesFaunaFecalFloraGourdsGramineaeKidneysLegumeO-alpha-D-Glucopyranosyl-[1beta94]-O-alpha-D-glucopyranosyl-[1beta94]-O-alpha-D-glucoseO-alpha-delta-Glucopyranosyl-[1beta94]-O-alpha-delta-glucopyranosyl-[1beta94]-O-alpha-delta-glucosePapilionoideaePdProstate glandSoySoyaSoya beanSoybeanStooldelta-[+]-Maltotriose |
| Chemical formula | C18H32O16 |
| IUPAC name | (2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol |
| CAS registry number | 1109-28-0 |
| Monisotopic molecular weight | 504.169034976 |
Chemical taxonomy |
|
| Super class | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Sub class | Carbohydrates and carbohydrate conjugates |
Biological properties |
|
| Pahtways |
Galactose Metabolism |
| Author-emphasized biomarker in the paper(s) |
|
| 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 | ||||
| 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 | – |
| 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 | – |
| 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 | 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 | – |
| 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 | – |
| 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 |
| 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 |
| 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 |
| Fahrmann et al. 2015 | GC | EI | – | TOF | – |
| Wikoff et al. 2015b | GC | EI | – | TOF | – |
| Reference | Data processing software | Database search |
| Fahrmann et al. 2015 | – | UC Davis Metabolomics BinBase database |
| Moreno et al. 2018 | – | KEGG, HMDB |
| Fahrmann et al. 2015 | – | UC Davis Metabolomics BinBase database |
| Fahrmann et al. 2015 | – | UC Davis Metabolomics BinBase database |
| Moreno et al. 2018 | – | KEGG, HMDB |
| Fahrmann et al. 2015 | – | UC Davis Metabolomics BinBase database |
| Wikoff et al. 2015b | BinBase | NIST11, BinBase |
| Reference | Difference method | Mean concentration (case) | Mean concentration (control) | Fold change (case/control) | P-value | FDR | VIP |
| Fahrmann et al. 2015 | regress (by the covariates: age, gender and smoking history [packs per year]), permutation test | 132 ± 114 | 96 ± 31 | 1.38 | 0.039 | 0.3 | – |
| Moreno et al. 2018 | paired two‐sample t‐test, PLS-DA | – | – | 0.610218585894929 | 0.0250176276929168 | 0.0427343912731147 | – |
| Fahrmann et al. 2015 | regress (by the covariates: age, gender and smoking history [packs per year]), permutation test | 136 ± 54 | 109 ± 39 | 1.25 | 0.003 | 0.037 | – |
| Fahrmann et al. 2015 | regress (by the covariates: age, gender and smoking history [packs per year]), permutation test | 133 ± 107 | 97 ± 146 | 1.36 | 0.003 | 0.038 | – |
| Moreno et al. 2018 | paired two‐sample t‐test, PLS-DA | – | – | 0.461192238607395 | 0.000595905238769401 | 0.000978461688349757 | – |
| Fahrmann et al. 2015 | regress (by the covariates: age, gender and smoking history [packs per year]), permutation test | 344 ± 295 | 180 ± 209 | 1.91 | 0 | 0.007 | – |
| Wikoff et al. 2015b | OPLS-DA | – | – | 1.7 | – | 0.615 | – |
| Reference | Classification method | Cutoff value | AUROC 95%CI | Sensitivity (%) | Specificity (%) | Accuracy (%) |
| Fahrmann et al. 2015 | random forest | – | – | – | – | – |
| Moreno et al. 2018 | – | – | – | – | – | – |
| Fahrmann et al. 2015 | random forest | – | – | – | – | – |
| Fahrmann et al. 2015 | random forest | – | maltose+maltotriose+cystine+3-Phosphoglycerate+citrulline=0.699 (0.583, 0.815) maltose+maltotriose+cystine+3-Phosphoglycerate+citrulline+pyrophosphate+tryptophan+adenosine-5-Phosphate=0.670 (0.552, 0.789) | 79.1 maltose+maltotriose=67.4 | 48.8 maltose+maltotriose=59.3 | 64 maltose+maltotriose=63.4 |
| Moreno et al. 2018 | – | – | – | – | – | – |
| Fahrmann et al. 2015 | random forest | – | maltose+maltotriose+cystine+3-Phosphoglycerate+citrulline=0.880 (0.805, 0.954) maltose+maltotriose+cystine+3-Phosphoglycerate+citrulline+pyrophosphate+tryptophan+adenosine-5-Phosphate=0.883 (0.812, 0.955) | – | – | 71.1 maltose+maltotriose=71.7 |
| Wikoff et al. 2015b | – | – | – | – | – | – |