enterobactin
naturalproductmech:mibig-864f62763e MINTED SEEDED enzyme inhibitor
Structure
| Standard InChIKey | SERBHKJMVBATSJ-UHFFFAOYSA-N |
|---|---|
| SMILES | C1C(C(=O)OCC(C(=O)OCC(C(=O)O1)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C3=C(C(=CC=C3)O)O)NC(=O)C4=C(C(=CC=C4)O)O |
| Stereochemistry | undefined stereocentres — the InChIKey does not distinguish this compound from its stereoisomers |
| Cross-references | npatlas:NPA018623, pubchem:34231 |
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 2
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 sp. J465 NCBITaxon:674034 |
SOURCE_ASSERTION | mibig:BGC0000343 | PMID:19710707 |
| Escherichia coli str. K-12 substr. MG1655 NCBITaxon:511145 |
SOURCE_ASSERTION | mibig:BGC0002476 | PMID:12655062 |
Occurrences 0
None cited.
Biosynthetic gene clusters 2
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0000343 | Pseudomonas sp. J465 NCBITaxon:674034 |
CLUSTER_UNSTATED | genbank:GQ370384.1 |
| mibig:BGC0002476 | Escherichia coli str. K-12 substr. MG1655 NCBITaxon:511145 |
CLUSTER_DEMONSTRATED | genbank:U00096.3 |
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.
Bioactivities 1
| Assay | Result | Reference |
|---|---|---|
| Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB | KD 0.04 uM | pubchem.aid:977611 |
Open questions 1
shared-structure — This structure is reported by more than one MIBiG entry: BGC0000343, BGC0002476. Confirm they describe the same compound rather than an upstream cross-reference error.
Provenance
| Source concept | Source | Version |
|---|---|---|
| BGC0000343 | MIBIG | 5 |
| BGC0002476 | MIBIG | 2 |
This page is generated from data/natural_products/unclassified/enterobactin.yaml, which is generated from the committed inventories. Neither is edited by hand.