Metabolite
A Metabolite is a small molecule tracked across the integMET database. Each metabolite records where it was observed and where it showed significant changes.
What is a Metabolite in integMET?
integMET tracks metabolites across all Studies and DiffProfs. For each metabolite, you can find:
- Which Studies detected this metabolite
- Which DiffProfs show significant changes in this metabolite
- Chemical identifiers for external database lookup
This allows you to trace a metabolite back to its biological contexts — discovering which conditions, treatments, or diseases affect its levels.
Metabolite Fields
Chemical Identifiers
| Field | Description |
|---|---|
| InChIKey | Unique structural identifier (e.g., SNICXCGAKADSCV-UHFFFAOYSA-N) |
| ChEBI ID | ChEBI database identifier |
| IUPAC Name | Systematic chemical name |
| Synonym | Common name (e.g., "Rutin", "Reserpin") |
| Reactome IDs | Links to Reactome pathways |
Observation Tracking
| Field | Description |
|---|---|
| Studies Observed | List of Studies where this metabolite was detected |
| DiffProfs Observed | List of DiffProfs where this metabolite appears |
| Studies with Variation | Studies where this metabolite showed significant change |
| DiffProfs with Variation | DiffProfs where this metabolite showed significant change |
Example
Metabolite: Reserpin
InChIKey: QEVHRUUCFGRFIF-MDEJGZGSSA-N
ChEBI ID: 28487
Observed in 9 studies:
MTBLS10, MTBLS3750, MTBLS3963, MTBLS4463, ...
Significant variation in 3 DiffProfs:
MTBLS3750_0002_00000006
MTBLS4463_0001_00000001
MTBLS5195_0001_00000001
Tracing Metabolites to Biological Contexts
A key feature of integMET is the ability to ask: "Where does this metabolite change?"
Starting from a metabolite, you can:
- Find all DiffProfs where it shows significant variation
- Examine the biological contrasts in those DiffProfs
- Discover patterns across different conditions
Metabolite: Rutin
└── Significant in DiffProfs:
├── MTBLS1191: Disease vs Control (liver condition)
├── MTBLS2384: Treated vs Untreated (drug response)
└── MTBLS3518: Stressed vs Normal (environmental stress)
This reveals that Rutin levels change across diverse biological contexts — potentially indicating shared metabolic responses.
Relationship to Studies and DiffProfs
Metabolite (Rutin)
├── Observed in Study: MTBLS1191
│ └── Significant in DiffProf: MTBLS1191_0001_00000001
├── Observed in Study: MTBLS2384
│ └── Significant in DiffProf: MTBLS2384_0002_00000003
└── ...