tolaasin I
naturalproductmech:mibig-4502321bd9 MINTED SEEDED
Structure
| Standard InChIKey | PQXDAQPDGVWOTE-WAQCLICHSA-N |
|---|---|
| SMILES | CCCCCC(CC(=O)N/C(=C\C)/C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@H](CO)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N/C(=C\C)/C(=O)N[C@@H]2[C@H](OC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)[C@@H](C)CC)CCO)CCN)CCCCN)C)O |
| Stereochemistry | undefined stereocentres — the InChIKey does not distinguish this compound from its stereoisomers |
| Cross-references | pubchem:44559556 |
Filing pathway
Unclassified — computed by NPClassifier npclassifier.gnps2.org@2026-09-07, which is why it is pinned rather than recomputed. The gene cluster's asserted class is nrps, from MIBiG.
Producer organisms 1
A claim that this taxon makes the compound. The basis says what the evidence addressed — a knockout and a database assertion are not the same claim.
| Taxon | Basis | Cluster | Evidence |
|---|---|---|---|
| Pseudomonas costantinii NCBITaxon:168469 |
BGC_CHARACTERIZED | mibig:BGC0000447 | PMID:24222604 |
Occurrences 1
Somebody found the compound in this organism and cited it. That is not a claim that the organism makes it, and nothing here promotes one to the other.
| Taxon | Source | Reference |
|---|---|---|
| Pseudomonas tolaasii NCBITaxon:29442 |
LOTUS | DOI:10.1021/NP0303557 |
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0000447 | Pseudomonas costantinii NCBITaxon:168469 |
CLUSTER_DEMONSTRATED | genbank:HE967327.1 |
A locus claim and a taxon claim are different questions. Heterologous expression settles the first and leaves the second where the isolation report left it.
Provenance
| Source concept | Source | Version |
|---|---|---|
| BGC0000447 | MIBIG | 5 |
This page is generated from data/natural_products/unclassified/tolaasin-i.yaml, which is generated from the committed inventories. Neither is edited by hand.