Metabolite information |
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| HMDB ID | HMDB0000208 |
| Synonyms |
2-Ketoglutarate2-Ketoglutaric acid2-Oxoglutarate2-Oxoglutaric acid2-Oxopentanedioate2-Oxopentanedioic acid2-oxo-1,5-Pentanedioate2-oxo-1,5-Pentanedioic acidCalcium alpha-ketoglutarateCalcium ketoglutarateOxoglutaratea-Ketoglutaratea-Ketoglutaric acidalpha-Ketoglutaratealpha-Ketoglutaric acidalpha-Ketoglutaric acid, calcium salt (2:1)alpha-Ketoglutaric acid, diammonium saltalpha-Ketoglutaric acid, dipotassium saltalpha-Ketoglutaric acid, disodium saltalpha-Ketoglutaric acid, monopotassium saltalpha-Ketoglutaric acid, monosodium saltalpha-Ketoglutaric acid, potassium saltalpha-Ketoglutaric acid, sodium saltalpha-Oxoglutarateα-ketoglutarateα-ketoglutaric acid |
| Chemical formula | C5H6O5 |
| IUPAC name | 2-oxopentanedioic acid |
| CAS registry number | 328-50-7 |
| Monoisotopic molecular weight | 146.021523302 |
Chemical taxonomy |
|
| Super class | Organic acids and derivatives |
| Class | Keto acids and derivatives |
| Sub class | Gamma-keto acids and derivatives |
Biological properties |
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| Pathways (Pathway Details in HMDB) |
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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 | ||||
| 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 | – |
| Hori et al. 2011 | Japan | tissue | diagnosis | adenocarcinoma, squamous cell carcinoma, SCLC | – | 7 | 6, 1 | median: 61 (53-82) | smoker, non-smoker | tumor vs. adjacent normal tissue | 7 | 6, 1 | median: 61 (53-82) | smoker, non-smoker |
| 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 |
| Hao et al. 2016 | Canada | serum | diagnosis | lung cancer | I, II, III, IV | 25 | 15, 10 | 64 (42–77) | smoker, non-smoker | before vs. after treatment (radiation treatment) | – | – | – | smoker, non-smoker |
| Moreno et al. 2018 | Spain | 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 | – |
| Qi et al. 2021 | China | blood | diagnosis | adenocarcinoma, squamous cell carcinoma, small cell lung cancer, other types, unknown types | I, II, III, IV | 98 | 51, 47 | Median: 50 (32-69) | – | healthy | 75 | 36, 39 | Median: 50 (31-69) | – |
| Reference | Chromatography | Ion source | Positive/Negative mode | Mass analyzer | Identification level |
| Miyamoto et al. 2015 | GC | EI | – | TOF | MS/MS |
| Mazzone et al. 2016 | GC | EI | – | quadrupole | MS/MS |
| Hori et al. 2011 | GC | – | – | – | – |
| Wikoff et al. 2015b | GC | EI | – | TOF | – |
| Hao et al. 2016 | – | – | – | NMR | – |
| Moreno et al. 2018 | LC, GC | ESI, EI | both | LC: linear ion-trap, GC: single-quadrupole | LC: MS/MS |
| Qi et al. 2021 | LC | ESI | both | Q-Orbitrap | MS/MS |
| Reference | Data processing software | Database search |
| Miyamoto et al. 2015 | ChromaTOF software (Leco) | UC Davis Metabolomics BinBase database |
| Mazzone et al. 2016 | Metabolon LIMS system | Metabolon LIMS system |
| Hori et al. 2011 | Shimadzu GCMSsolution software | commercially available GC/MS Metabolite Mass Spectral Database (Shimadzu Co.), NIST Mass Spectral Library (NIST 08) |
| Wikoff et al. 2015b | BinBase | NIST11, BinBase |
| Hao et al. 2016 | Chenomx NMR Suite 7.1, Metabolite Detector | – |
| Moreno et al. 2018 | – | KEGG, HMDB |
| Qi et al. 2021 | ProteoWizard, XCMS, Xcalibur, CAMERA | mzCloud, ChemSpider, LipidBlast and Fiehn HILIC |
| Reference | Difference method | Mean concentration (case) | Mean concentration (control) | Fold change (case/control) | P-value | FDR | VIP |
| Miyamoto et al. 2015 | Analysis of Covariance | 564.090909090909 | 653.545454545455 | 0.86 | 0.30 | – | – |
| Mazzone et al. 2016 | two- sample independent t test | 0.9707989± 0.6326111 | 0.9231879± 0.5633581 | 1.05 | 0.52 | 0.59 | – |
| Hori et al. 2011 | student’s t-test, PLS-DA | – | – | 0.84 | 0.32 | – | – |
| Wikoff et al. 2015b | OPLS-DA | – | – | 1.00 | – | 0.84 | – |
| Hao et al. 2016 | OPLS-DA, CV-ANOVA | – | – | – | – | – | >1 |
| Moreno et al. 2018 | paired two-sample t-test, PLS-DA | – | – | 1.07 | 0.36 | 0.40 | – |
| Qi et al. 2021 | PCA, OPLS-DA, Student’s t test | – | – | 1.13 | 0.03 | – | 2.66 |
| Reference | Classification method | Cutoff value | AUROC 95%CI | Sensitivity (%) | Specificity (%) | Accuracy (%) |
| Miyamoto et al. 2015 | – | – | – | – | – | – |
| Mazzone et al. 2016 | – | – | – | – | – | – |
| Hori et al. 2011 | – | – | – | – | – | – |
| Wikoff et al. 2015b | – | – | – | – | – | – |
| Hao et al. 2016 | – | – | – | – | – | – |
| Moreno et al. 2018 | – | – | – | – | – | – |
| Qi et al. 2021 | – | – | – | – | – | – |