Metabolite information |
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| HMDB ID | HMDB0000663 |
| Synonyms |
Acid, saccharicAnhydrous calcium glucarateAnhydrous calcium saccharateCalcium glucarateCalcium glucarate, anhydrousCalcium saccharateCalcium saccharate anhydrousCalcium saccharate tetrahydrateCalcium saccharate, anhydrousD Glucaric acidD Saccharic acidD-GlucarateD-Glucaric acidD-GlucosaccharateD-Glucosaccharic acidD-SaccharateD-Saccharic acidD-TetrahydroxyadipateD-Tetrahydroxyadipic acidD-[+]-SaccharateD-[+]-Saccharic acidDL-Glucaric acidFaecalFaecesFecalGKRGlucarateGlucarate, anhydrous calciumGlucarate, calciumGlucosaccharic acidL Gularic acidL-GularateL-Gularic acidProstate glandSaccharateSaccharate tetrahydrate, calciumSaccharate, anhydrous calciumSaccharate, calciumSaccharic acidStoolTetrahydrate, calcium saccharateTetrahydroxyadipic acid[2R,3S,4S,5S]-2,3,4,5-Tetrahydroxyhexanedioate[2R,3S,4S,5S]-2,3,4,5-Tetrahydroxyhexanedioic acidlevo Gularic acidlevo-Gularic acid |
| Chemical formula | C6H10O8 |
| IUPAC name | (2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid |
| CAS registry number | 25525-21-7 |
| Monisotopic molecular weight | 210.037567296 |
Chemical taxonomy |
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| Super class | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Sub class | Carbohydrates and carbohydrate conjugates |
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 | ||||
| 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 | – | plasma | 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 | – | 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 | – | serum | diagnosis | adenocarcinoma | I, II, III, IV | 49 | 17, 32 | 65.9 ± 9.87 | – | healthy | 31 | 11, 20 | 64.1 ± 8.97 | – |
| Callejon-Leblic et al. 2019 | – | urine | diagnosis | NSCLC, SCLC | – | 32 | 22, 8 | 66 ± 12 | former, current, non-smoker | healthy | 29 | 18, 11 | 56 ± 13 | former, non-smoker |
| Reference | Chromatography | Ion source | Positive/Negative mode | Mass analyzer | Identification level |
| 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 | – |
| Callejon-Leblic et al. 2019 | GC | EI | – | ion trap | – |
| Reference | Data processing software | Database search |
| 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 |
| Callejon-Leblic et al. 2019 | XCMS | NIST Mass Spectral Library |
| 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 | 125 ± 140 | 126 ± 115 | 0.99 | 0.66 | 0.878 | – |
| Fahrmann et al. 2015 | regress (by the covariates: age, gender and smoking history [packs per year]), permutation test | 89 ± 72 | 89 ± 59 | 1 | 0.531 | 0.762 | – |
| Fahrmann et al. 2015 | regress (by the covariates: age, gender and smoking history [packs per year]), permutation test | 284 ± 1015 | 118 ± 45 | 2.41 | 0.517 | 0.81 | – |
| Fahrmann et al. 2015 | regress (by the covariates: age, gender and smoking history [packs per year]), permutation test | 101 ± 98 | 117 ± 82 | 0.86 | 0.123 | 0.459 | – |
| Callejon-Leblic et al. 2019 | PLS-LDA, one-way ANOVA | – | – | 0.11 | 0.048 | – | 2.07 |
| Reference | Classification method | Cutoff value | AUROC 95%CI | Sensitivity (%) | Specificity (%) | Accuracy (%) |
| Fahrmann et al. 2015 | random forest | – | – | – | – | – |
| Fahrmann et al. 2015 | random forest | – | – | – | – | – |
| Fahrmann et al. 2015 | random forest | – | – | – | – | – |
| Fahrmann et al. 2015 | random forest | – | – | – | – | – |
| Callejon-Leblic et al. 2019 | ROC curve analysis | – | 0.93 | – | – | – |