iturin
naturalproductmech:mibig-7db420f4a3 MINTED SEEDED
Structure
| Standard InChIKey | HNAPWDKFUSLFFE-UHFFFAOYSA-N |
|---|---|
| SMILES | CCCCCCCCCCCC1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)N1)CO)CC(=O)N)CCC(=O)N)CC(=O)N)CC3=CC=C(C=C3)O)CC(=O)N |
| Stereochemistry | undefined stereocentres — the InChIKey does not distinguish this compound from its stereoisomers |
| Cross-references | pubchem:158570 |
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 |
|---|---|---|---|
| Bacillus subtilis NCBITaxon:1423 |
SOURCE_ASSERTION | mibig:BGC0001098 | PMID:11591669 |
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 |
|---|---|---|
| Bacillus subtilis NCBITaxon:1423 |
LOTUS | DOI:10.7164/ANTIBIOTICS.40.437 |
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0001098 | Bacillus subtilis NCBITaxon:1423 |
CLUSTER_UNSTATED | genbank:AB050629.1 |
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 |
|---|---|---|
| BGC0001098 | MIBIG | 5 |
This page is generated from data/natural_products/amino_acids_and_peptides/iturin.yaml, which is generated from the committed inventories. Neither is edited by hand.