Metabolite information |
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| HMDB ID | HMDB0002823 |
| Synonyms |
(13Z,16Z,19Z) Docosatrienoate(13Z,16Z,19Z) Docosatrienoic acid13,16,19-Docosatrienoate13,16,19-Docosatrienoic acidDocosatrienoateall-cis-13,16,19 Docosatrienoateall-cis-13,16,19 Docosatrienoic acid |
| Chemical formula | C22H38O2 |
| IUPAC name | (13Z,16Z,19Z)-docosa-13,16,19-trienoic acid |
| CAS registry number | 28845-86-5 |
| Monoisotopic molecular weight | 334.28718046 |
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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| 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 | ||||
| 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 | – |
| Moreno et al. 2018 | Spain | tissue | therapy, diagnosis | adenocarcinoma | I, II, III | 33 | 24, 9 | 62.11 ± 9.73 | – | tumor vs. adjacent normal tissue | 33 | 24, 9 | 62.11 ± 9.73 | – |
| Zhao et al. 2021 | China | Serum | diagnosis | LCC, ADC, SCC, SCLC | I, II, III, IV | 39 | 21, 24 | – | – | healthy control | 40 | 18, 28 | – | – |
| Reference | Chromatography | Ion source | Positive/Negative mode | Mass analyzer | Identification level |
| Moreno et al. 2018 | LC, GC | ESI, EI | both | LC: linear ion-trap, GC: single-quadrupole | LC: MS/MS |
| Moreno et al. 2018 | LC, GC | ESI, EI | both | LC: linear ion-trap, GC: single-quadrupole | LC: MS/MS |
| Zhao et al. 2021 | LC | ESI | both | Q-TOF | MS/MS |
| Reference | Data processing software | Database search |
| Moreno et al. 2018 | – | KEGG, HMDB |
| Moreno et al. 2018 | – | KEGG, HMDB |
| Zhao et al. 2021 | XCMS, CAMERA, metaX | KEGG, HMDB |
| Reference | Difference method | Mean concentration (case) | Mean concentration (control) | Fold change (case/control) | P-value | FDR | VIP |
| Moreno et al. 2018 | paired two-sample t-test, PLS-DA | – | – | 5.49 | 1.19e-16 | 9.48e-15 | – |
| Moreno et al. 2018 | paired two-sample t-test, PLS-DA | – | – | 2.72 | 4.52e-05 | 1.76e-04 | – |
| Zhao et al. 2021 | Student’s t-test, PLS-DA, | – | – | 2.85 | 5.11e-13 | – | 4.06 |
| Reference | Classification method | Cutoff value | AUROC 95%CI | Sensitivity (%) | Specificity (%) | Accuracy (%) |
| Moreno et al. 2018 | – | – | – | – | – | – |
| Moreno et al. 2018 | – | – | – | – | – | – |
| Zhao et al. 2021 | – | – | – | – | – | – |