Metabolite information |
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| HMDB ID | HMDB0304793 |
| Synonyms |
4-Ketoproline4-Ketoproline, (L)-isomer4-Oxoprolinic acid4-oxo-L-Proline |
| Chemical formula | C5H6NO3 |
| IUPAC name | 4-oxopyrrolidine-2-carboxylate |
| CAS registry number | – |
| Monoisotopic molecular weight | 128.035316637 |
Chemical taxonomy |
|
| Super class | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Sub class | Amino acids, peptides, and analogues |
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 | ||||
| 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) | – |
| 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) | – |
| 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 |
| Qi et al. 2021 | LC | ESI | both | Q-Orbitrap | MS/MS |
| Qi et al. 2021 | LC | ESI | both | Q-Orbitrap | MS/MS |
| Qi et al. 2021 | LC | ESI | both | Q-Orbitrap | MS/MS |
| Reference | Data processing software | Database search |
| Qi et al. 2021 | ProteoWizard, XCMS, Xcalibur, CAMERA, Compound Discoverer | mzCloud, ChemSpider, LipidBlast and Fiehn HILIC |
| Qi et al. 2021 | ProteoWizard, XCMS, Xcalibur, CAMERA | mzCloud, ChemSpider, LipidBlast and Fiehn HILIC |
| 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 |
| Qi et al. 2021 | PCA, OPLS-DA, Student’s t test | – | – | 1.61 | 1.30e-15 | – | 2.57 |
| Qi et al. 2021 | PCA, OPLS-DA, Student’s t test | – | – | 1.42 | 2.65e-10 | – | 3.75 |
| Qi et al. 2021 | PCA, OPLS-DA, Student’s t test | – | – | 1.33 | 1.86e-10 | – | 2.60 |
| Reference | Classification method | Cutoff value | AUROC 95%CI | Sensitivity (%) | Specificity (%) | Accuracy (%) |
| Qi et al. 2021 | ROC analysis | – | Discriminating healthy controls and lung cancer patients 0.83, Discriminating healthy controls, early-stage patients, and advanced-stage 0.73 | – | – | – |
| Qi et al. 2021 | ROC analysis | – | Discriminating healthy controls and lung cancer patients 0.83, Discriminating healthy controls, early-stage patients, and advanced-stage 0.73 | – | – | – |
| Qi et al. 2021 | ROC analysis | – | Discriminating healthy controls and lung cancer patients 0.83, Discriminating healthy controls, early-stage patients, and advanced-stage 0.73 | – | – | – |