polytheonamide A
naturalproductmech:mibig-3b9895cff4 MINTED SEEDED
Structure
| Standard InChIKey | RGFCRAHTPKNZJI-NUVSNYKBSA-N |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@H](CC(=O)NC)C(=O)N[C@@H](C(C)C)C(=O)N[C@H]([C@H](C(=O)NC)O)C(=O)N[C@@H](C)C(=O)N[C@H](CC(=O)NC)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(=O)N)C(=O)N[C@H](C(=O)N[C@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)C(C)(C)C[S@@](=O)C)NC(=O)[C@@H](CC(=O)NC)NC(=O)CNC(=O)[C@@H](C(C)(C)O)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@@H]([C@H](C(=O)NC)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CC(=O)NC)NC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](C(C)(C)O)NC(=O)[C@H]([C@@H](C)CC(=O)N)NC(=O)[C@@H](CC(=O)NC)NC(=O)[C@H](C(C)(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C(C)(C)O)NC(=O)[C@@H](CC(=O)NC)NC(=O)[C@H](C)NC(=O)[C@@H](C(C)(C)C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)CNC(=O)[C@H](C(C)(C)CC)NC(=O)CNC(=O)C(=O)CCC(C)(C)C |
| Stereochemistry | fully defined |
| Cross-references | pubchem:44602391 |
Filing pathway
Amino acids and peptides — 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 ribosomal, 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 |
|---|---|---|---|
| Candidatus Entotheonella factor NCBITaxon:1221190 |
SOURCE_ASSERTION | mibig:BGC0000598 | PMID:22983711 |
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 |
|---|---|---|
| Theonella swinhoei NCBITaxon:37505 |
LOTUS | DOI:10.1016/S0040-4039(00)75851-5 |
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0000598 | Candidatus Entotheonella factor NCBITaxon:1221190 |
CLUSTER_DEMONSTRATED | genbank:JX456532.1 |
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 |
|---|---|---|
| BGC0000598 | MIBIG | 5 |
This page is generated from data/natural_products/amino_acids_and_peptides/polytheonamide-a.yaml, which is generated from the committed inventories. Neither is edited by hand.