Metabolite information |
|
| HMDB ID | HMDB0000001 |
| Synonyms |
(2S)-2-amino-3-(1-Methyl-1H-imidazol-4-yl)propanoate(2S)-2-amino-3-(1-Methyl-1H-imidazol-4-yl)propanoic acid1 Methylhistidine1-MHis1-Methyl histidine1-Methyl-L-histidine1-Methyl-histidine1-Methylhistidine1-Methylhistidine dihydrochloride1-N-Methyl-L-histidineL-1-MethylhistidineN1-Methyl-L-histidinePi-methylhistidine |
| Chemical formula | C7H11N3O2 |
| IUPAC name | (2S)-2-amino-3-(1-methyl-1H-imidazol-4-yl)propanoic acid |
| CAS registry number | 332-80-9 |
| Monoisotopic molecular weight | 169.085126611 |
Chemical taxonomy |
|
| Super class | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Sub class | Amino acids, peptides, and analogues |
Biological properties |
|
| Pathways (Pathway Details in HMDB) |
|
| 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 | ||||
| Yue et al. 2018 | China | plasma | diagnosis | SCLC | – | 20 | – | – | – | healthy | 20 | – | – | – |
| Klupczynska et al. 2016a | Poland | serum | diagnosis | adenocarcinoma, squamous cell carcinoma | I, II, III | 90 | 58, 32 | 64 (48-86) | current, non-smoker, unknown | healthy | 63 | 41, 22 | 62 (43-78) | smoker, non-smoker, unknown |
| 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 |
| Yue et al. 2018 | LC | ESI | both | QTRAP | MS/MS |
| Klupczynska et al. 2016a | LC | – | – | QTRAP | MS/MS |
| 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 |
| Yue et al. 2018 | Analyst, MultiQuant | – |
| Klupczynska et al. 2016a | – | – |
| 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 |
| Yue et al. 2018 | OPLS-DA, student’s t-test | 3102.10±695.01 ng/mL | 1912.36±722.30 ng/mL | 2.69 | 4.35e-04 | – | 1.27 |
| Klupczynska et al. 2016a | t-test, Welch’s t-test or the Mann-Whitney U test, one-way ANOVA | 7±5.85 ?M | 8.19±7.61 ?M | 0.85 | 0.76 | – | – |
| Moreno et al. 2018 | paired two-sample t-test, PLS-DA | – | – | 2.37 | 4.99e-09 | 1.99e-08 | – |
| Qi et al. 2021 | PCA, OPLS-DA, Student’s t test | – | – | 0.65 | 0.03 | – | 1.04 |
| Reference | Classification method | Cutoff value | AUROC 95%CI | Sensitivity (%) | Specificity (%) | Accuracy (%) |
| Yue et al. 2018 | – | – | – | – | – | – |
| Klupczynska et al. 2016a | ROC curve analysis (Monte-Carlo cross validation), discriminant function analysis | – | 0.515 | – | – | – |
| Moreno et al. 2018 | – | – | – | – | – | – |
| Qi et al. 2021 | – | – | – | – | – | – |