Metabolite information |
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| HMDB ID | HMDB0059611 |
| Synonyms |
1,4-TMCA1,4-Thiomorpholine-3-carboxylate1,4-Thiomorpholine-3-carboxylic acid3-Thiomorpholinecarboxylate3-Thiomorpholinecarboxylic acidThiomorpholine 3-carboxylateThiomorpholine 3-carboxylic acidThiomorpholine-3-carboxylate |
| Chemical formula | C5H9NO2S |
| IUPAC name | thiomorpholine-3-carboxylic acid |
| CAS registry number | – |
| Monisotopic molecular weight | 147.035399227 |
Chemical taxonomy |
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| Super class | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Sub class | Amino acids, peptides, and analogues |
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 | ||||
| Klupczynska et al. 2017 | – | serum | diagnosis | adenocarcinoma, squamous cell carcinoma | I, II | 50 | 28, 22 | 65 (53-86) | – | healthy | 25 | 14, 11 | 64 (50-78) | – |
| Reference | Chromatography | Ion source | Positive/Negative mode | Mass analyzer | Identification level |
| Klupczynska et al. 2017 | LC | ESI | positive | Quadrupole- Orbitrap | MS/MS |
| Reference | Data processing software | Database search |
| Klupczynska et al. 2017 | MZmine 2.19 software | HMDB |
| Reference | Difference method | Mean concentration (case) | Mean concentration (control) | Fold change (case/control) | P-value | FDR | VIP |
| Klupczynska et al. 2017 | t-test | – | – | 0.72 | 0.00045 | 0.00553 | – |
| Reference | Classification method | Cutoff value | AUROC 95%CI | Sensitivity (%) | Specificity (%) | Accuracy (%) |
| Klupczynska et al. 2017 | ROC curve analysis (Monte-Carlo cross validation) | – | 0.734 (0.588–0.853) | 0.75 | 0.68 | – |