Metabolite information |
|
| HMDB ID | HMDB0000459 |
| Synonyms |
3-Methylcrotonyl glycine3-Methylcrotonyl-glycine3-MethylcrotonylglycinCytoplasmaN-[3-Methyl-1-oxo-2-butenyl]-glycineb-Methylcrotonylglycinebeta-Methylcrotonylglycineβ-methylcrotonylglycine |
| Chemical formula | C7H11NO3 |
| IUPAC name | 2-(3-methylbut-2-enamido)acetic acid |
| CAS registry number | 33008-07-0 |
| Monisotopic molecular weight | 157.073893223 |
Chemical taxonomy |
|
| Super class | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Sub class | Amino acids, peptides, and analogues |
Biological properties |
|
| Pahtways |
|
| Author-emphasized biomarker in the paper(s) |
|
| 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 | ||||
| Huang et al. 2019 | – | plasma | diagnosis | lung cancer | – | 31 | 19, 12 | 28-64 | – | healthy | 35 | 24, 11 | 23-60 | – |
| Reference | Chromatography | Ion source | Positive/Negative mode | Mass analyzer | Identification level |
| Huang et al. 2019 | LC | ESI | positive | Q-Orbitrap | MS/MS |
| Reference | Data processing software | Database search |
| Huang et al. 2019 | XCMS | OSI-SMMS |
| Reference | Difference method | Mean concentration (case) | Mean concentration (control) | Fold change (case/control) | P-value | FDR | VIP |
| Huang et al. 2019 | OPLS-DA, Mann-Whitney U test | – | – | 0.287351272 | 0.009854803 | – | 1.589611045 |
| Reference | Classification method | Cutoff value | AUROC 95%CI | Sensitivity (%) | Specificity (%) | Accuracy (%) |
| Huang et al. 2019 | – | – | – | – | – | – |