Metabolite information |
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| HMDB ID | HMDB0000448 |
| Synonyms |
1,4-Butanedicarboxylate1,4-Butanedicarboxylic acid1,6-Hexanedioate1,6-Hexanedioic acidAcifloctinAcinettenAdi-pureAdilactettenAdipateAdipic acid, MG salt [1:1]Adipic acid, calcium saltAdipic acid, cu saltAdipic acid, cu[+2] saltAdipic acid, cu[+2] salt [1:1]Adipic acid, diammonium saltAdipic acid, disodium saltAdipic acid, monoammonium saltAdipic acid, nickel saltAdipic acid, potassium saltAdipic acid, sodium saltAdipinateAdipinic acidAdipinsaeureAmmonium adipateAnorexiaBeautification productCarcinoma of the lungCellular membraneCsfCytoplasmaDigestionFaecalFaecesFecalFloraGlutaric acidemia type 2HexanedioateHexanedioic acidINS no. 355KidneysKyselina adipovaLipid bodyLipid dropletLipid metabolic processLipid particleLung carcinomaMagnesium adipateMembrane integrity agentMembrane stability agentMolten adipateMolten adipic acidMultiple acyl-coa dehydrogenase deficiencyPcpPersonal hygieneSodium adipateStoolToiletriesToiletrye 355e-355e355 |
| Chemical formula | C6H10O4 |
| IUPAC name | hexanedioic acid |
| CAS registry number | 124-04-9 |
| Monisotopic molecular weight | 146.057908808 |
Chemical taxonomy |
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| Super class | Lipids and lipid-like molecules |
| Class | Fatty Acyls |
| Sub class | Fatty acids and 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 | 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 | – |
| Miyamoto et al. 2015 | – | 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 |
| 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 | 43 | 21, 22 | 67.3 ± 10.10 | – | healthy | 43 | 21, 22 | 65.9 ± 8.05 | – |
| Miyamoto et al. 2015 | – | 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 |
| 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 |
| 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 | – |
| Fahrmann et al. 2015 | GC | EI | – | TOF | – |
| Miyamoto et al. 2015 | GC | EI | – | TOF | MS/MS |
| Fahrmann et al. 2015 | GC | EI | – | TOF | – |
| Fahrmann et al. 2015 | GC | EI | – | TOF | – |
| Miyamoto et al. 2015 | GC | EI | – | TOF | MS/MS |
| Callejon-Leblic et al. 2019 | GC | EI | – | ion trap | – |
| Wikoff et al. 2015b | GC | EI | – | TOF | – |
| Reference | Data processing software | Database search |
| Fahrmann et al. 2015 | – | UC Davis Metabolomics BinBase database |
| Fahrmann et al. 2015 | – | UC Davis Metabolomics BinBase database |
| Miyamoto et al. 2015 | ChromaTOF software (Leco) | UC Davis Metabolomics BinBase database |
| Fahrmann et al. 2015 | – | UC Davis Metabolomics BinBase database |
| Fahrmann et al. 2015 | – | UC Davis Metabolomics BinBase database |
| Miyamoto et al. 2015 | ChromaTOF software (Leco) | UC Davis Metabolomics BinBase database |
| Callejon-Leblic et al. 2019 | XCMS | NIST Mass Spectral Library |
| 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 | 260 ± 55 | 292 ± 202 | 0.89 | 0.657 | 0.846 | – |
| Fahrmann et al. 2015 | regress (by the covariates: age, gender and smoking history [packs per year]), permutation test | 296 ± 111 | 329 ± 198 | 0.9 | 0.649 | 0.824 | – |
| Miyamoto et al. 2015 | Analysis of Covariance | 1755.72727272727 | 3091.27272727273 | 0.56796259263616 | 0.634935710634966 | – | – |
| Fahrmann et al. 2015 | regress (by the covariates: age, gender and smoking history [packs per year]), permutation test | 478 ± 418 | 485 ± 328 | 0.99 | 0.594 | 0.851 | – |
| Fahrmann et al. 2015 | regress (by the covariates: age, gender and smoking history [packs per year]), permutation test | 644 ± 274 | 815 ± 797 | 0.79 | 0.065 | 0.283 | – |
| Miyamoto et al. 2015 | Analysis of Covariance | 2055.33333333333 | 2754.8 | 0.746091670296694 | 0.0285907909108603 | – | – |
| Callejon-Leblic et al. 2019 | PLS-LDA, one-way ANOVA | – | – | 3.96 | 0.017 | – | 2.21 |
| Wikoff et al. 2015b | OPLS-DA | – | – | 1.3 | – | 0.163 | – |
| Reference | Classification method | Cutoff value | AUROC 95%CI | Sensitivity (%) | Specificity (%) | Accuracy (%) |
| Fahrmann et al. 2015 | random forest | – | – | – | – | – |
| Fahrmann et al. 2015 | random forest | – | – | – | – | – |
| Miyamoto et al. 2015 | – | – | – | – | – | – |
| Fahrmann et al. 2015 | random forest | – | – | – | – | – |
| Fahrmann et al. 2015 | random forest | – | – | – | – | – |
| Miyamoto et al. 2015 | – | – | – | – | – | – |
| Callejon-Leblic et al. 2019 | ROC curve analysis | – | 0.75 | – | – | – |
| Wikoff et al. 2015b | – | – | – | – | – | – |