Metabolite information |
|
| HMDB ID | HMDB0000258 |
| Synonyms |
(+)-Sucrose1-a-D-Glucopyranosyl-2-b-D-fructofuranoside1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside1-α-D-glucopyranosyl-2-β-D-fructofuranosideCane sugarD-(+)-SaccharoseD-(+)-SucroseD-SucroseSacarosaSaccharoseSaccharumSacharoseSugarTable sugarWhite sugarb -D-Fructofuranosyl a-D-glucopyranosideb-D-Fruf-(21)-a-D-GLCPbeta-D-Fruf-(21)-alpha-D-GLCPβ-D-fruf-(21)-α-D-GLCP |
| Chemical formula | C12H22O11 |
| IUPAC name | (2R,3R,4S,5S,6R)-2-{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol |
| CAS registry number | 57-50-1 |
| Monoisotopic molecular weight | 342.116211546 |
Chemical taxonomy |
|
| Super class | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Sub class | Carbohydrates and carbohydrate conjugates |
Biological properties |
|
| Pathways (Pathway Details in HMDB) |
|
| 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 | ||||
| Miyamoto et al. 2015 | US | blood | diagnosis | adenocarcinoma | unknown (mostly late stage) | 18 | 10, 8 | 67 (50-85) / 62 (53-72) | former, current | healthy | 20 | 8, 12 | 64 (49-80) / 66 (58-82) | former, current |
| Miyamoto et al. 2015 | US | blood | diagnosis | NSCLC, SCLC, mesothelioma, secondary metastasis to lung | I, II, III, IV | 11 | 4, 7 | 67 (61-73) / 67 (47-76) | smoker, non-smoker | healthy | 11 | 5, 6 | 69 (61-83) / 54 (44-61) | unknown |
| 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 | – |
| Fahrmann et al. 2015 | US | 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 | US | 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 | US | 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 | US | plasma | diagnosis | adenocarcinoma | I, II, III, IV | 43 | 21, 22 | 67.3 ± 10.10 | – | healthy | 43 | 21, 22 | 65.9 ± 8.05 | – |
| Wikoff et al. 2015b | US | 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 |
| Miyamoto et al. 2015 | GC | EI | – | TOF | MS/MS |
| Miyamoto et al. 2015 | GC | EI | – | TOF | MS/MS |
| Mazzone et al. 2016 | LC | ESI | negative | linear ion-trap | 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 | – |
| Wikoff et al. 2015b | GC | EI | – | TOF | – |
| Reference | Data processing software | Database search |
| Miyamoto et al. 2015 | ChromaTOF software (Leco) | UC Davis Metabolomics BinBase database |
| Miyamoto et al. 2015 | ChromaTOF software (Leco) | UC Davis Metabolomics BinBase database |
| 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 |
| Wikoff et al. 2015b | BinBase | NIST11, BinBase |
| Reference | Difference method | Mean concentration (case) | Mean concentration (control) | Fold change (case/control) | P-value | FDR | VIP |
| Miyamoto et al. 2015 | Analysis of Covariance | 646.722222222222 | 1363.2 | 0.47 | 0.29 | – | – |
| Miyamoto et al. 2015 | Analysis of Covariance | 895.727272727273 | 1151.90909090909 | 0.78 | 0.63 | – | – |
| Mazzone et al. 2016 | two- sample independent t test | 0.9980351± 1.330491 | 1.2360016± 1.710138 | 0.81 | 0.24 | 0.35 | – |
| Fahrmann et al. 2015 | regress (by the covariates: age, gender and smoking history [packs per year]), permutation test | 278 ± 1027 | 193 ± 226 | 1.44 | 0.66 | 0.88 | – |
| Fahrmann et al. 2015 | regress (by the covariates: age, gender and smoking history [packs per year]), permutation test | 303 ± 862 | 190 ± 217 | 1.60 | 0.78 | 0.90 | – |
| Fahrmann et al. 2015 | regress (by the covariates: age, gender and smoking history [packs per year]), permutation test | 854 ± 4667 | 228 ± 364 | 3.75 | 0.59 | 0.86 | – |
| Fahrmann et al. 2015 | regress (by the covariates: age, gender and smoking history [packs per year]), permutation test | 87 ± 62 | 223 ± 525 | 0.39 | 0.02 | 0.13 | – |
| Wikoff et al. 2015b | OPLS-DA | – | – | 1.30 | – | 0.31 | – |
| Reference | Classification method | Cutoff value | AUROC 95%CI | Sensitivity (%) | Specificity (%) | Accuracy (%) |
| Miyamoto et al. 2015 | – | – | – | – | – | – |
| Miyamoto et al. 2015 | – | – | – | – | – | – |
| 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 | – | – | – | – | – |
| Wikoff et al. 2015b | – | – | – | – | – | – |