yersiniabactin
naturalproductmech:mibig-66a349ed2d MINTED SEEDED
Structure
| Standard InChIKey | CARQCAHMXWHUIE-NRMQOZBLSA-N |
|---|---|
| SMILES | C[C@@]1(CSC(=N1)C(C)(C)[C@@H]([C@@H]2CSC(N2)[C@H]3CS/C(=C/4\C=CC=CC4=O)/N3)O)C(=O)O |
| Stereochemistry | undefined stereocentres — the InChIKey does not distinguish this compound from its stereoisomers |
| Cross-references | pubchem:5462519 |
Filing pathway
Alkaloids — 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 |
|---|---|---|---|
| Escherichia coli NCBITaxon:562 |
SOURCE_ASSERTION | mibig:BGC0001055 | PMID:17049458 |
Occurrences 4
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 |
|---|---|---|
| Yersinia enterocolitica NCBITaxon:630 |
LOTUS | DOI:10.1002/JLAC.1995199510243 |
| Yersinia enterocolitica NCBITaxon:630 |
LOTUS | DOI:10.1016/S0040-4020(01)00012-6 |
| Yersinia enterocolitica NCBITaxon:630 |
LOTUS | DOI:10.1099/00221287-139-9-2159 |
| Escherichia coli NCBITaxon:562 |
LOTUS | DOI:10.1016/J.IJMM.2006.06.007 |
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0001055 | Escherichia coli NCBITaxon:562 |
CLUSTER_UNSTATED | genbank:AM236324.1 |
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 |
|---|---|---|
| BGC0001055 | MIBIG | 5 |
This page is generated from data/natural_products/alkaloids/yersiniabactin-2.yaml, which is generated from the committed inventories. Neither is edited by hand.