theonellamide
naturalproductmech:mibig-0fb6b72d81 MINTED SEEDED
Structure
| Standard InChIKey | WVJFAKMMDQFEDM-UZGFQBTNSA-N |
|---|---|
| SMILES | C[C@H]([C@H]1C(=O)NC[C@@H](C(=O)N[C@@H](C[C@H](CC(=O)N[C@H]2CC3=CN(C[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)[C@H](C(=O)N)O)CC(=O)N)NC(=O)[C@@H](NC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)[C@H](C)O)CO)CC4=CC=CC=C4)[C@H](/C=C(\C)/C=C/C5=CC=CC=C5)O)CO)C=[N+]3[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)C(=O)[O-])O)C7=CC=C(C=C7)Br |
| Stereochemistry | fully defined |
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 nrps, pks, 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 serta NCBITaxon:1652106 |
SOURCE_ASSERTION | mibig:BGC0001800 | PMID:29439203 |
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 NCBITaxon:37504 |
LOTUS | DOI:10.1021/JO00110A020 |
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0001800 | Candidatus Entotheonella serta NCBITaxon:1652106 |
CLUSTER_UNSTATED | genbank:MG844357.1 |
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 |
|---|---|---|
| BGC0001800 | MIBIG | 4 |
This page is generated from data/natural_products/amino_acids_and_peptides/theonellamide.yaml, which is generated from the committed inventories. Neither is edited by hand.